USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 637 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0107 USER MOD Single : A 20 LYS NZ :NH3+ 147:sc= 1.19 (180deg=0.338) USER MOD Single : A 23 HIS :FLIP no HE2:sc= -0.0493 F(o=-0.93,f=-0.049) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 135:sc= -0.435 (180deg=-2.84!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0.295 USER MOD Single : A 38 LYS NZ :NH3+ -145:sc= -0.152 (180deg=-0.681) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -115:sc= -0.28! (180deg=-0.69) USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= 0.967 (180deg=0.559) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 40:sc= 0.0742 USER MOD Single : A 56 GLN : amide:sc= -0.734 K(o=-0.73,f=-5!) USER MOD Single : A 57 LYS NZ :NH3+ 165:sc= 0.542 (180deg=0.335) USER MOD Single : A 58 ASN : amide:sc= -0.0535 K(o=-0.053,f=-2.7!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-2) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 160:sc= 1.02 (180deg=0.553) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -131:sc= 1.11 (180deg=-0.304) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 113 N LYS A 8 9.347 -5.420 -9.713 1.00 20.22 N ATOM 114 CA LYS A 8 8.888 -4.044 -9.467 1.00 51.13 C ATOM 115 C LYS A 8 7.464 -3.826 -10.006 1.00 54.34 C ATOM 116 O LYS A 8 7.222 -3.914 -11.213 1.00 1.14 O ATOM 117 CB LYS A 8 9.857 -3.025 -10.098 1.00 41.32 C ATOM 118 CG LYS A 8 11.103 -2.733 -9.258 1.00 2.23 C ATOM 119 CD LYS A 8 12.016 -3.946 -9.107 1.00 61.32 C ATOM 120 CE LYS A 8 13.163 -3.665 -8.143 1.00 30.13 C ATOM 121 NZ LYS A 8 14.016 -4.864 -7.932 1.00 10.03 N ATOM 0 HA LYS A 8 8.871 -3.890 -8.388 1.00 51.13 H new ATOM 0 HB2 LYS A 8 10.170 -3.396 -11.074 1.00 41.32 H new ATOM 0 HB3 LYS A 8 9.322 -2.091 -10.269 1.00 41.32 H new ATOM 0 HG2 LYS A 8 11.663 -1.919 -9.718 1.00 2.23 H new ATOM 0 HG3 LYS A 8 10.796 -2.390 -8.270 1.00 2.23 H new ATOM 0 HD2 LYS A 8 11.437 -4.796 -8.747 1.00 61.32 H new ATOM 0 HD3 LYS A 8 12.418 -4.224 -10.081 1.00 61.32 H new ATOM 0 HE2 LYS A 8 13.773 -2.850 -8.532 1.00 30.13 H new ATOM 0 HE3 LYS A 8 12.760 -3.333 -7.186 1.00 30.13 H new ATOM 0 HZ1 LYS A 8 14.784 -4.632 -7.271 1.00 10.03 H new ATOM 0 HZ2 LYS A 8 13.440 -5.635 -7.537 1.00 10.03 H new ATOM 0 HZ3 LYS A 8 14.421 -5.166 -8.841 1.00 10.03 H new ATOM 135 N ASP A 9 6.533 -3.538 -9.100 1.00 1.30 N ATOM 136 CA ASP A 9 5.126 -3.306 -9.456 1.00 13.34 C ATOM 137 C ASP A 9 4.629 -1.982 -8.847 1.00 33.00 C ATOM 138 O ASP A 9 5.353 -1.327 -8.089 1.00 24.12 O ATOM 139 CB ASP A 9 4.254 -4.470 -8.960 1.00 22.25 C ATOM 140 CG ASP A 9 4.733 -5.821 -9.466 1.00 33.31 C ATOM 141 OD1 ASP A 9 5.574 -6.451 -8.787 1.00 54.00 O ATOM 142 OD2 ASP A 9 4.268 -6.270 -10.535 1.00 51.54 O ATOM 0 H ASP A 9 6.726 -3.458 -8.102 1.00 1.30 H new ATOM 0 HA ASP A 9 5.050 -3.243 -10.542 1.00 13.34 H new ATOM 0 HB2 ASP A 9 4.249 -4.476 -7.870 1.00 22.25 H new ATOM 0 HB3 ASP A 9 3.225 -4.310 -9.282 1.00 22.25 H new ATOM 147 N GLU A 10 3.399 -1.588 -9.171 1.00 11.41 N ATOM 148 CA GLU A 10 2.817 -0.360 -8.613 1.00 1.31 C ATOM 149 C GLU A 10 1.751 -0.669 -7.545 1.00 42.34 C ATOM 150 O GLU A 10 0.920 -1.564 -7.704 1.00 30.31 O ATOM 151 CB GLU A 10 2.215 0.536 -9.715 1.00 52.04 C ATOM 152 CG GLU A 10 1.012 -0.053 -10.451 1.00 64.20 C ATOM 153 CD GLU A 10 1.397 -1.081 -11.503 1.00 63.43 C ATOM 154 OE1 GLU A 10 1.486 -2.279 -11.174 1.00 51.14 O ATOM 155 OE2 GLU A 10 1.604 -0.686 -12.671 1.00 73.41 O ATOM 0 H GLU A 10 2.787 -2.094 -9.811 1.00 11.41 H new ATOM 0 HA GLU A 10 3.633 0.182 -8.136 1.00 1.31 H new ATOM 0 HB2 GLU A 10 1.917 1.484 -9.267 1.00 52.04 H new ATOM 0 HB3 GLU A 10 2.993 0.759 -10.445 1.00 52.04 H new ATOM 0 HG2 GLU A 10 0.343 -0.517 -9.727 1.00 64.20 H new ATOM 0 HG3 GLU A 10 0.455 0.754 -10.928 1.00 64.20 H new ATOM 162 N TYR A 11 1.797 0.075 -6.443 1.00 3.21 N ATOM 163 CA TYR A 11 0.794 -0.041 -5.377 1.00 24.43 C ATOM 164 C TYR A 11 -0.241 1.088 -5.482 1.00 61.05 C ATOM 165 O TYR A 11 0.117 2.269 -5.492 1.00 71.53 O ATOM 166 CB TYR A 11 1.472 0.000 -3.997 1.00 42.41 C ATOM 167 CG TYR A 11 2.007 -1.338 -3.508 1.00 24.43 C ATOM 168 CD1 TYR A 11 2.621 -2.241 -4.373 1.00 2.51 C ATOM 169 CD2 TYR A 11 1.890 -1.698 -2.168 1.00 31.33 C ATOM 170 CE1 TYR A 11 3.100 -3.455 -3.914 1.00 50.24 C ATOM 171 CE2 TYR A 11 2.366 -2.906 -1.705 1.00 40.42 C ATOM 172 CZ TYR A 11 2.970 -3.781 -2.580 1.00 64.15 C ATOM 173 OH TYR A 11 3.447 -4.985 -2.116 1.00 4.30 O ATOM 0 H TYR A 11 2.521 0.770 -6.260 1.00 3.21 H new ATOM 0 HA TYR A 11 0.283 -0.997 -5.494 1.00 24.43 H new ATOM 0 HB2 TYR A 11 2.296 0.713 -4.034 1.00 42.41 H new ATOM 0 HB3 TYR A 11 0.756 0.378 -3.267 1.00 42.41 H new ATOM 0 HD1 TYR A 11 2.725 -1.989 -5.418 1.00 2.51 H new ATOM 0 HD2 TYR A 11 1.416 -1.016 -1.477 1.00 31.33 H new ATOM 0 HE1 TYR A 11 3.574 -4.144 -4.597 1.00 50.24 H new ATOM 0 HE2 TYR A 11 2.266 -3.165 -0.661 1.00 40.42 H new ATOM 0 HH TYR A 11 3.276 -5.056 -1.154 1.00 4.30 H new ATOM 183 N TYR A 12 -1.516 0.721 -5.566 1.00 72.42 N ATOM 184 CA TYR A 12 -2.603 1.703 -5.622 1.00 24.31 C ATOM 185 C TYR A 12 -2.868 2.318 -4.239 1.00 65.12 C ATOM 186 O TYR A 12 -3.391 1.656 -3.341 1.00 2.55 O ATOM 187 CB TYR A 12 -3.882 1.058 -6.176 1.00 55.24 C ATOM 188 CG TYR A 12 -3.822 0.765 -7.665 1.00 11.22 C ATOM 189 CD1 TYR A 12 -3.100 -0.318 -8.158 1.00 20.53 C ATOM 190 CD2 TYR A 12 -4.485 1.579 -8.576 1.00 34.33 C ATOM 191 CE1 TYR A 12 -3.045 -0.578 -9.515 1.00 5.42 C ATOM 192 CE2 TYR A 12 -4.432 1.326 -9.931 1.00 42.31 C ATOM 193 CZ TYR A 12 -3.713 0.249 -10.398 1.00 1.54 C ATOM 194 OH TYR A 12 -3.657 0.005 -11.750 1.00 2.31 O ATOM 0 H TYR A 12 -1.826 -0.250 -5.597 1.00 72.42 H new ATOM 0 HA TYR A 12 -2.296 2.505 -6.294 1.00 24.31 H new ATOM 0 HB2 TYR A 12 -4.072 0.129 -5.639 1.00 55.24 H new ATOM 0 HB3 TYR A 12 -4.726 1.718 -5.978 1.00 55.24 H new ATOM 0 HD1 TYR A 12 -2.575 -0.965 -7.471 1.00 20.53 H new ATOM 0 HD2 TYR A 12 -5.052 2.425 -8.216 1.00 34.33 H new ATOM 0 HE1 TYR A 12 -2.483 -1.423 -9.883 1.00 5.42 H new ATOM 0 HE2 TYR A 12 -4.953 1.971 -10.623 1.00 42.31 H new ATOM 0 HH TYR A 12 -4.183 0.681 -12.226 1.00 2.31 H new ATOM 204 N VAL A 13 -2.477 3.580 -4.074 1.00 21.14 N ATOM 205 CA VAL A 13 -2.674 4.307 -2.813 1.00 24.50 C ATOM 206 C VAL A 13 -3.675 5.459 -2.989 1.00 41.31 C ATOM 207 O VAL A 13 -3.668 6.139 -4.012 1.00 1.43 O ATOM 208 CB VAL A 13 -1.332 4.875 -2.281 1.00 71.13 C ATOM 209 CG1 VAL A 13 -0.288 3.768 -2.156 1.00 31.50 C ATOM 210 CG2 VAL A 13 -0.813 6.005 -3.170 1.00 3.02 C ATOM 0 H VAL A 13 -2.018 4.128 -4.802 1.00 21.14 H new ATOM 0 HA VAL A 13 -3.073 3.595 -2.090 1.00 24.50 H new ATOM 0 HB VAL A 13 -1.518 5.289 -1.290 1.00 71.13 H new ATOM 0 HG11 VAL A 13 0.645 4.189 -1.781 1.00 31.50 H new ATOM 0 HG12 VAL A 13 -0.647 3.006 -1.464 1.00 31.50 H new ATOM 0 HG13 VAL A 13 -0.116 3.318 -3.134 1.00 31.50 H new ATOM 0 HG21 VAL A 13 0.128 6.380 -2.769 1.00 3.02 H new ATOM 0 HG22 VAL A 13 -0.653 5.629 -4.180 1.00 3.02 H new ATOM 0 HG23 VAL A 13 -1.544 6.813 -3.196 1.00 3.02 H new ATOM 220 N GLN A 14 -4.539 5.673 -2.000 1.00 62.42 N ATOM 221 CA GLN A 14 -5.504 6.783 -2.050 1.00 44.32 C ATOM 222 C GLN A 14 -5.101 7.916 -1.089 1.00 44.43 C ATOM 223 O GLN A 14 -4.664 7.668 0.035 1.00 10.22 O ATOM 224 CB GLN A 14 -6.927 6.287 -1.748 1.00 50.21 C ATOM 225 CG GLN A 14 -7.098 5.639 -0.375 1.00 34.35 C ATOM 226 CD GLN A 14 -8.499 5.076 -0.155 1.00 3.13 C ATOM 227 OE1 GLN A 14 -9.501 5.682 -0.767 1.00 52.34 O flip ATOM 228 NE2 GLN A 14 -8.683 4.103 0.568 1.00 42.24 N flip ATOM 0 H GLN A 14 -4.596 5.101 -1.158 1.00 62.42 H new ATOM 0 HA GLN A 14 -5.494 7.187 -3.062 1.00 44.32 H new ATOM 0 HB2 GLN A 14 -7.615 7.129 -1.826 1.00 50.21 H new ATOM 0 HB3 GLN A 14 -7.217 5.567 -2.513 1.00 50.21 H new ATOM 0 HG2 GLN A 14 -6.368 4.837 -0.264 1.00 34.35 H new ATOM 0 HG3 GLN A 14 -6.882 6.376 0.399 1.00 34.35 H new ATOM 0 HE21 GLN A 14 -7.892 3.653 1.029 1.00 42.24 H new ATOM 0 HE22 GLN A 14 -9.627 3.743 0.708 1.00 42.24 H new ATOM 237 N ILE A 15 -5.244 9.159 -1.546 1.00 52.25 N ATOM 238 CA ILE A 15 -4.788 10.332 -0.786 1.00 42.53 C ATOM 239 C ILE A 15 -5.599 10.559 0.503 1.00 13.24 C ATOM 240 O ILE A 15 -6.730 11.054 0.472 1.00 30.30 O ATOM 241 CB ILE A 15 -4.822 11.612 -1.658 1.00 2.32 C ATOM 242 CG1 ILE A 15 -4.034 11.384 -2.962 1.00 34.22 C ATOM 243 CG2 ILE A 15 -4.265 12.811 -0.884 1.00 24.43 C ATOM 244 CD1 ILE A 15 -2.614 10.902 -2.751 1.00 62.45 C ATOM 0 H ILE A 15 -5.674 9.385 -2.443 1.00 52.25 H new ATOM 0 HA ILE A 15 -3.759 10.121 -0.495 1.00 42.53 H new ATOM 0 HB ILE A 15 -5.858 11.833 -1.914 1.00 2.32 H new ATOM 0 HG12 ILE A 15 -4.567 10.655 -3.573 1.00 34.22 H new ATOM 0 HG13 ILE A 15 -4.010 12.316 -3.527 1.00 34.22 H new ATOM 0 HG21 ILE A 15 -4.298 13.699 -1.515 1.00 24.43 H new ATOM 0 HG22 ILE A 15 -4.866 12.978 0.010 1.00 24.43 H new ATOM 0 HG23 ILE A 15 -3.233 12.610 -0.595 1.00 24.43 H new ATOM 0 HD11 ILE A 15 -2.129 10.766 -3.717 1.00 62.45 H new ATOM 0 HD12 ILE A 15 -2.062 11.640 -2.168 1.00 62.45 H new ATOM 0 HD13 ILE A 15 -2.628 9.953 -2.215 1.00 62.45 H new ATOM 256 N THR A 16 -5.006 10.187 1.634 1.00 15.33 N ATOM 257 CA THR A 16 -5.646 10.342 2.948 1.00 34.11 C ATOM 258 C THR A 16 -5.246 11.658 3.640 1.00 1.40 C ATOM 259 O THR A 16 -6.075 12.555 3.822 1.00 11.41 O ATOM 260 CB THR A 16 -5.280 9.165 3.882 1.00 73.14 C ATOM 261 OG1 THR A 16 -3.853 9.082 4.020 1.00 24.12 O ATOM 262 CG2 THR A 16 -5.823 7.840 3.348 1.00 11.33 C ATOM 0 H THR A 16 -4.075 9.772 1.672 1.00 15.33 H new ATOM 0 HA THR A 16 -6.720 10.356 2.764 1.00 34.11 H new ATOM 0 HB THR A 16 -5.736 9.351 4.855 1.00 73.14 H new ATOM 0 HG1 THR A 16 -3.625 8.336 4.614 1.00 24.12 H new ATOM 0 HG21 THR A 16 -5.548 7.034 4.028 1.00 11.33 H new ATOM 0 HG22 THR A 16 -6.909 7.896 3.272 1.00 11.33 H new ATOM 0 HG23 THR A 16 -5.400 7.644 2.363 1.00 11.33 H new ATOM 270 N VAL A 17 -3.974 11.761 4.035 1.00 11.55 N ATOM 271 CA VAL A 17 -3.461 12.943 4.750 1.00 31.33 C ATOM 272 C VAL A 17 -2.916 14.016 3.791 1.00 31.24 C ATOM 273 O VAL A 17 -2.280 13.703 2.786 1.00 74.53 O ATOM 274 CB VAL A 17 -2.347 12.549 5.758 1.00 65.23 C ATOM 275 CG1 VAL A 17 -2.903 11.626 6.839 1.00 4.23 C ATOM 276 CG2 VAL A 17 -1.164 11.894 5.042 1.00 33.52 C ATOM 0 H VAL A 17 -3.273 11.038 3.872 1.00 11.55 H new ATOM 0 HA VAL A 17 -4.310 13.364 5.289 1.00 31.33 H new ATOM 0 HB VAL A 17 -1.986 13.460 6.236 1.00 65.23 H new ATOM 0 HG11 VAL A 17 -2.108 11.361 7.536 1.00 4.23 H new ATOM 0 HG12 VAL A 17 -3.702 12.136 7.377 1.00 4.23 H new ATOM 0 HG13 VAL A 17 -3.297 10.721 6.377 1.00 4.23 H new ATOM 0 HG21 VAL A 17 -0.399 11.628 5.772 1.00 33.52 H new ATOM 0 HG22 VAL A 17 -1.503 10.995 4.528 1.00 33.52 H new ATOM 0 HG23 VAL A 17 -0.746 12.592 4.316 1.00 33.52 H new ATOM 286 N ASP A 18 -3.181 15.284 4.106 1.00 43.51 N ATOM 287 CA ASP A 18 -2.705 16.410 3.290 1.00 74.54 C ATOM 288 C ASP A 18 -2.041 17.503 4.156 1.00 74.25 C ATOM 289 O ASP A 18 -2.335 17.635 5.346 1.00 1.11 O ATOM 290 CB ASP A 18 -3.873 17.006 2.496 1.00 34.25 C ATOM 291 CG ASP A 18 -4.945 17.597 3.399 1.00 33.14 C ATOM 292 OD1 ASP A 18 -5.687 16.824 4.039 1.00 45.42 O ATOM 293 OD2 ASP A 18 -5.041 18.838 3.485 1.00 12.05 O ATOM 0 H ASP A 18 -3.725 15.562 4.923 1.00 43.51 H new ATOM 0 HA ASP A 18 -1.950 16.030 2.602 1.00 74.54 H new ATOM 0 HB2 ASP A 18 -3.497 17.781 1.828 1.00 34.25 H new ATOM 0 HB3 ASP A 18 -4.316 16.232 1.869 1.00 34.25 H new ATOM 298 N GLY A 19 -1.145 18.286 3.548 1.00 60.42 N ATOM 299 CA GLY A 19 -0.531 19.425 4.238 1.00 20.43 C ATOM 300 C GLY A 19 0.472 19.051 5.334 1.00 64.11 C ATOM 301 O GLY A 19 0.930 19.919 6.076 1.00 43.34 O ATOM 0 H GLY A 19 -0.830 18.154 2.587 1.00 60.42 H new ATOM 0 HA2 GLY A 19 -0.025 20.048 3.500 1.00 20.43 H new ATOM 0 HA3 GLY A 19 -1.321 20.032 4.680 1.00 20.43 H new ATOM 305 N LYS A 20 0.816 17.772 5.442 1.00 73.32 N ATOM 306 CA LYS A 20 1.786 17.312 6.446 1.00 5.53 C ATOM 307 C LYS A 20 3.217 17.695 6.023 1.00 0.12 C ATOM 308 O LYS A 20 3.890 16.941 5.334 1.00 23.13 O ATOM 309 CB LYS A 20 1.654 15.790 6.626 1.00 71.43 C ATOM 310 CG LYS A 20 2.627 15.175 7.628 1.00 44.03 C ATOM 311 CD LYS A 20 2.379 15.664 9.051 1.00 51.34 C ATOM 312 CE LYS A 20 3.394 15.074 10.024 1.00 1.54 C ATOM 313 NZ LYS A 20 4.792 15.397 9.629 1.00 25.31 N ATOM 0 H LYS A 20 0.441 17.031 4.850 1.00 73.32 H new ATOM 0 HA LYS A 20 1.578 17.797 7.400 1.00 5.53 H new ATOM 0 HB2 LYS A 20 0.636 15.563 6.944 1.00 71.43 H new ATOM 0 HB3 LYS A 20 1.800 15.310 5.658 1.00 71.43 H new ATOM 0 HG2 LYS A 20 2.537 14.089 7.599 1.00 44.03 H new ATOM 0 HG3 LYS A 20 3.648 15.418 7.335 1.00 44.03 H new ATOM 0 HD2 LYS A 20 2.435 16.752 9.079 1.00 51.34 H new ATOM 0 HD3 LYS A 20 1.371 15.389 9.362 1.00 51.34 H new ATOM 0 HE2 LYS A 20 3.202 15.457 11.026 1.00 1.54 H new ATOM 0 HE3 LYS A 20 3.269 13.992 10.067 1.00 1.54 H new ATOM 0 HZ1 LYS A 20 5.378 15.505 10.482 1.00 25.31 H new ATOM 0 HZ2 LYS A 20 5.173 14.628 9.042 1.00 25.31 H new ATOM 0 HZ3 LYS A 20 4.803 16.285 9.087 1.00 25.31 H new ATOM 327 N GLU A 21 3.670 18.876 6.427 1.00 2.31 N ATOM 328 CA GLU A 21 4.950 19.418 5.943 1.00 14.51 C ATOM 329 C GLU A 21 6.102 19.195 6.939 1.00 14.02 C ATOM 330 O GLU A 21 6.041 19.625 8.092 1.00 20.34 O ATOM 331 CB GLU A 21 4.792 20.911 5.639 1.00 42.35 C ATOM 332 CG GLU A 21 3.753 21.207 4.560 1.00 34.32 C ATOM 333 CD GLU A 21 3.473 22.691 4.417 1.00 5.24 C ATOM 334 OE1 GLU A 21 4.233 23.383 3.712 1.00 54.14 O ATOM 335 OE2 GLU A 21 2.512 23.184 5.041 1.00 31.15 O ATOM 0 H GLU A 21 3.178 19.480 7.085 1.00 2.31 H new ATOM 0 HA GLU A 21 5.212 18.878 5.033 1.00 14.51 H new ATOM 0 HB2 GLU A 21 4.512 21.432 6.554 1.00 42.35 H new ATOM 0 HB3 GLU A 21 5.755 21.313 5.325 1.00 42.35 H new ATOM 0 HG2 GLU A 21 4.102 20.812 3.606 1.00 34.32 H new ATOM 0 HG3 GLU A 21 2.826 20.687 4.800 1.00 34.32 H new ATOM 342 N VAL A 22 7.165 18.543 6.472 1.00 65.45 N ATOM 343 CA VAL A 22 8.319 18.209 7.314 1.00 4.53 C ATOM 344 C VAL A 22 9.377 19.327 7.321 1.00 23.24 C ATOM 345 O VAL A 22 10.347 19.304 6.564 1.00 3.34 O ATOM 346 CB VAL A 22 8.967 16.864 6.879 1.00 62.22 C ATOM 347 CG1 VAL A 22 8.045 15.695 7.213 1.00 55.31 C ATOM 348 CG2 VAL A 22 9.297 16.866 5.385 1.00 22.21 C ATOM 0 H VAL A 22 7.254 18.231 5.505 1.00 65.45 H new ATOM 0 HA VAL A 22 7.939 18.102 8.330 1.00 4.53 H new ATOM 0 HB VAL A 22 9.899 16.748 7.432 1.00 62.22 H new ATOM 0 HG11 VAL A 22 8.514 14.761 6.902 1.00 55.31 H new ATOM 0 HG12 VAL A 22 7.864 15.670 8.288 1.00 55.31 H new ATOM 0 HG13 VAL A 22 7.097 15.818 6.688 1.00 55.31 H new ATOM 0 HG21 VAL A 22 9.749 15.913 5.111 1.00 22.21 H new ATOM 0 HG22 VAL A 22 8.382 17.013 4.811 1.00 22.21 H new ATOM 0 HG23 VAL A 22 9.995 17.674 5.168 1.00 22.21 H new ATOM 358 N HIS A 23 9.172 20.318 8.178 1.00 44.32 N ATOM 359 CA HIS A 23 10.125 21.433 8.316 1.00 63.21 C ATOM 360 C HIS A 23 11.121 21.193 9.457 1.00 1.14 C ATOM 361 O HIS A 23 12.007 22.010 9.708 1.00 2.35 O ATOM 362 CB HIS A 23 9.376 22.759 8.521 1.00 72.44 C ATOM 363 CG HIS A 23 10.266 23.977 8.539 1.00 71.13 C ATOM 364 ND1 HIS A 23 11.215 24.404 7.667 1.00 40.12 N flip ATOM 365 CD2 HIS A 23 10.226 24.925 9.541 1.00 61.20 C flip ATOM 366 CE1 HIS A 23 11.716 25.585 8.158 1.00 62.03 C flip ATOM 367 NE2 HIS A 23 11.104 25.874 9.288 1.00 64.33 N flip ATOM 0 H HIS A 23 8.359 20.381 8.791 1.00 44.32 H new ATOM 0 HA HIS A 23 10.697 21.493 7.390 1.00 63.21 H new ATOM 0 HB2 HIS A 23 8.639 22.873 7.726 1.00 72.44 H new ATOM 0 HB3 HIS A 23 8.826 22.711 9.461 1.00 72.44 H new ATOM 0 HD1 HIS A 23 11.502 23.935 6.808 1.00 40.12 H new ATOM 0 HD2 HIS A 23 9.574 24.894 10.402 1.00 61.20 H new ATOM 0 HE1 HIS A 23 12.487 26.181 7.693 1.00 62.03 H new ATOM 491 N TYR A 32 13.425 24.020 4.102 1.00 1.14 N ATOM 492 CA TYR A 32 13.142 22.593 3.924 1.00 51.23 C ATOM 493 C TYR A 32 11.798 22.246 4.552 1.00 11.31 C ATOM 494 O TYR A 32 11.697 22.053 5.761 1.00 74.20 O ATOM 495 CB TYR A 32 14.248 21.725 4.529 1.00 12.23 C ATOM 496 CG TYR A 32 15.480 21.645 3.660 1.00 33.33 C ATOM 497 CD1 TYR A 32 15.368 21.259 2.335 1.00 23.33 C ATOM 498 CD2 TYR A 32 16.740 21.948 4.155 1.00 62.43 C ATOM 499 CE1 TYR A 32 16.476 21.175 1.520 1.00 61.32 C ATOM 500 CE2 TYR A 32 17.860 21.867 3.347 1.00 63.44 C ATOM 501 CZ TYR A 32 17.720 21.479 2.028 1.00 33.33 C ATOM 502 OH TYR A 32 18.827 21.403 1.213 1.00 51.03 O ATOM 0 HA TYR A 32 13.103 22.387 2.854 1.00 51.23 H new ATOM 0 HB2 TYR A 32 14.524 22.126 5.504 1.00 12.23 H new ATOM 0 HB3 TYR A 32 13.862 20.719 4.696 1.00 12.23 H new ATOM 0 HD1 TYR A 32 14.395 21.019 1.933 1.00 23.33 H new ATOM 0 HD2 TYR A 32 16.848 22.251 5.186 1.00 62.43 H new ATOM 0 HE1 TYR A 32 16.370 20.873 0.489 1.00 61.32 H new ATOM 0 HE2 TYR A 32 18.836 22.105 3.744 1.00 63.44 H new ATOM 0 HH TYR A 32 19.626 21.650 1.723 1.00 51.03 H new ATOM 512 N LYS A 33 10.765 22.195 3.727 1.00 45.45 N ATOM 513 CA LYS A 33 9.406 21.995 4.218 1.00 10.24 C ATOM 514 C LYS A 33 8.561 21.250 3.172 1.00 3.21 C ATOM 515 O LYS A 33 7.666 21.821 2.548 1.00 62.20 O ATOM 516 CB LYS A 33 8.804 23.369 4.575 1.00 70.22 C ATOM 517 CG LYS A 33 7.513 23.329 5.391 1.00 3.23 C ATOM 518 CD LYS A 33 7.257 24.677 6.071 1.00 34.45 C ATOM 519 CE LYS A 33 6.002 24.667 6.937 1.00 11.02 C ATOM 520 NZ LYS A 33 4.762 24.741 6.124 1.00 5.30 N ATOM 0 H LYS A 33 10.839 22.289 2.714 1.00 45.45 H new ATOM 0 HA LYS A 33 9.416 21.375 5.114 1.00 10.24 H new ATOM 0 HB2 LYS A 33 9.548 23.939 5.132 1.00 70.22 H new ATOM 0 HB3 LYS A 33 8.612 23.914 3.650 1.00 70.22 H new ATOM 0 HG2 LYS A 33 6.674 23.079 4.741 1.00 3.23 H new ATOM 0 HG3 LYS A 33 7.578 22.543 6.144 1.00 3.23 H new ATOM 0 HD2 LYS A 33 8.117 24.938 6.687 1.00 34.45 H new ATOM 0 HD3 LYS A 33 7.163 25.452 5.310 1.00 34.45 H new ATOM 0 HE2 LYS A 33 5.986 23.759 7.540 1.00 11.02 H new ATOM 0 HE3 LYS A 33 6.032 25.509 7.628 1.00 11.02 H new ATOM 0 HZ1 LYS A 33 4.073 24.047 6.478 1.00 5.30 H new ATOM 0 HZ2 LYS A 33 4.358 25.697 6.193 1.00 5.30 H new ATOM 0 HZ3 LYS A 33 4.985 24.531 5.130 1.00 5.30 H new ATOM 534 N ASP A 34 8.877 19.971 2.979 1.00 24.22 N ATOM 535 CA ASP A 34 8.242 19.153 1.938 1.00 24.31 C ATOM 536 C ASP A 34 6.933 18.511 2.427 1.00 63.34 C ATOM 537 O ASP A 34 6.749 18.274 3.623 1.00 3.22 O ATOM 538 CB ASP A 34 9.210 18.053 1.487 1.00 11.23 C ATOM 539 CG ASP A 34 10.575 18.601 1.111 1.00 10.15 C ATOM 540 OD1 ASP A 34 10.777 18.966 -0.067 1.00 13.33 O ATOM 541 OD2 ASP A 34 11.460 18.657 1.999 1.00 40.33 O ATOM 0 H ASP A 34 9.574 19.472 3.532 1.00 24.22 H new ATOM 0 HA ASP A 34 8.000 19.811 1.104 1.00 24.31 H new ATOM 0 HB2 ASP A 34 9.323 17.322 2.287 1.00 11.23 H new ATOM 0 HB3 ASP A 34 8.785 17.527 0.632 1.00 11.23 H new ATOM 546 N TYR A 35 6.030 18.232 1.487 1.00 43.01 N ATOM 547 CA TYR A 35 4.767 17.550 1.793 1.00 22.24 C ATOM 548 C TYR A 35 4.978 16.040 2.002 1.00 24.34 C ATOM 549 O TYR A 35 5.501 15.343 1.131 1.00 31.04 O ATOM 550 CB TYR A 35 3.739 17.797 0.677 1.00 41.22 C ATOM 551 CG TYR A 35 3.124 19.188 0.709 1.00 45.33 C ATOM 552 CD1 TYR A 35 3.919 20.328 0.808 1.00 43.40 C ATOM 553 CD2 TYR A 35 1.744 19.360 0.645 1.00 51.15 C ATOM 554 CE1 TYR A 35 3.357 21.590 0.845 1.00 31.24 C ATOM 555 CE2 TYR A 35 1.179 20.620 0.678 1.00 73.10 C ATOM 556 CZ TYR A 35 1.989 21.729 0.778 1.00 55.05 C ATOM 557 OH TYR A 35 1.427 22.986 0.813 1.00 55.12 O ATOM 0 H TYR A 35 6.148 18.468 0.502 1.00 43.01 H new ATOM 0 HA TYR A 35 4.383 17.965 2.725 1.00 22.24 H new ATOM 0 HB2 TYR A 35 4.221 17.645 -0.289 1.00 41.22 H new ATOM 0 HB3 TYR A 35 2.944 17.056 0.757 1.00 41.22 H new ATOM 0 HD1 TYR A 35 4.993 20.224 0.857 1.00 43.40 H new ATOM 0 HD2 TYR A 35 1.104 18.493 0.568 1.00 51.15 H new ATOM 0 HE1 TYR A 35 3.988 22.463 0.926 1.00 31.24 H new ATOM 0 HE2 TYR A 35 0.106 20.735 0.626 1.00 73.10 H new ATOM 0 HH TYR A 35 0.452 22.910 0.755 1.00 55.12 H new ATOM 567 N GLU A 36 4.538 15.549 3.157 1.00 14.23 N ATOM 568 CA GLU A 36 4.734 14.151 3.560 1.00 32.04 C ATOM 569 C GLU A 36 3.410 13.371 3.530 1.00 24.31 C ATOM 570 O GLU A 36 2.453 13.717 4.223 1.00 71.42 O ATOM 571 CB GLU A 36 5.353 14.108 4.971 1.00 3.00 C ATOM 572 CG GLU A 36 5.460 12.709 5.578 1.00 64.13 C ATOM 573 CD GLU A 36 6.129 12.713 6.949 1.00 41.44 C ATOM 574 OE1 GLU A 36 5.589 13.351 7.885 1.00 24.11 O ATOM 575 OE2 GLU A 36 7.195 12.077 7.101 1.00 10.03 O ATOM 0 H GLU A 36 4.033 16.108 3.845 1.00 14.23 H new ATOM 0 HA GLU A 36 5.411 13.675 2.851 1.00 32.04 H new ATOM 0 HB2 GLU A 36 6.349 14.549 4.930 1.00 3.00 H new ATOM 0 HB3 GLU A 36 4.755 14.733 5.635 1.00 3.00 H new ATOM 0 HG2 GLU A 36 4.463 12.278 5.666 1.00 64.13 H new ATOM 0 HG3 GLU A 36 6.026 12.067 4.904 1.00 64.13 H new ATOM 582 N TYR A 37 3.362 12.322 2.714 1.00 21.42 N ATOM 583 CA TYR A 37 2.162 11.487 2.584 1.00 43.41 C ATOM 584 C TYR A 37 2.427 10.042 3.037 1.00 3.11 C ATOM 585 O TYR A 37 3.286 9.352 2.483 1.00 21.23 O ATOM 586 CB TYR A 37 1.669 11.492 1.128 1.00 41.21 C ATOM 587 CG TYR A 37 1.022 12.800 0.690 1.00 31.21 C ATOM 588 CD1 TYR A 37 1.786 13.937 0.444 1.00 72.24 C ATOM 589 CD2 TYR A 37 -0.356 12.890 0.514 1.00 51.11 C ATOM 590 CE1 TYR A 37 1.196 15.120 0.034 1.00 63.12 C ATOM 591 CE2 TYR A 37 -0.952 14.070 0.104 1.00 4.01 C ATOM 592 CZ TYR A 37 -0.172 15.182 -0.132 1.00 61.33 C ATOM 593 OH TYR A 37 -0.759 16.356 -0.551 1.00 65.20 O ATOM 0 H TYR A 37 4.142 12.025 2.128 1.00 21.42 H new ATOM 0 HA TYR A 37 1.394 11.909 3.232 1.00 43.41 H new ATOM 0 HB2 TYR A 37 2.512 11.279 0.471 1.00 41.21 H new ATOM 0 HB3 TYR A 37 0.950 10.683 0.997 1.00 41.21 H new ATOM 0 HD1 TYR A 37 2.857 13.896 0.575 1.00 72.24 H new ATOM 0 HD2 TYR A 37 -0.972 12.023 0.701 1.00 51.11 H new ATOM 0 HE1 TYR A 37 1.805 15.992 -0.155 1.00 63.12 H new ATOM 0 HE2 TYR A 37 -2.022 14.119 -0.030 1.00 4.01 H new ATOM 0 HH TYR A 37 -1.729 16.231 -0.619 1.00 65.20 H new ATOM 603 N LYS A 38 1.687 9.595 4.053 1.00 14.20 N ATOM 604 CA LYS A 38 1.749 8.203 4.513 1.00 42.02 C ATOM 605 C LYS A 38 0.405 7.501 4.280 1.00 52.51 C ATOM 606 O LYS A 38 -0.616 7.900 4.842 1.00 60.12 O ATOM 607 CB LYS A 38 2.092 8.131 6.007 1.00 15.51 C ATOM 608 CG LYS A 38 2.295 6.702 6.523 1.00 51.33 C ATOM 609 CD LYS A 38 1.888 6.552 7.986 1.00 32.42 C ATOM 610 CE LYS A 38 0.375 6.656 8.162 1.00 11.24 C ATOM 611 NZ LYS A 38 -0.351 5.548 7.478 1.00 0.24 N ATOM 0 H LYS A 38 1.034 10.178 4.576 1.00 14.20 H new ATOM 0 HA LYS A 38 2.531 7.703 3.941 1.00 42.02 H new ATOM 0 HB2 LYS A 38 2.999 8.707 6.191 1.00 15.51 H new ATOM 0 HB3 LYS A 38 1.293 8.604 6.578 1.00 15.51 H new ATOM 0 HG2 LYS A 38 1.712 6.012 5.913 1.00 51.33 H new ATOM 0 HG3 LYS A 38 3.342 6.422 6.409 1.00 51.33 H new ATOM 0 HD2 LYS A 38 2.233 5.590 8.364 1.00 32.42 H new ATOM 0 HD3 LYS A 38 2.378 7.322 8.581 1.00 32.42 H new ATOM 0 HE2 LYS A 38 0.133 6.644 9.225 1.00 11.24 H new ATOM 0 HE3 LYS A 38 0.030 7.612 7.767 1.00 11.24 H new ATOM 0 HZ1 LYS A 38 -1.253 5.904 7.102 1.00 0.24 H new ATOM 0 HZ2 LYS A 38 0.230 5.183 6.697 1.00 0.24 H new ATOM 0 HZ3 LYS A 38 -0.537 4.783 8.158 1.00 0.24 H new ATOM 625 N LEU A 39 0.411 6.455 3.465 1.00 35.30 N ATOM 626 CA LEU A 39 -0.815 5.710 3.150 1.00 63.25 C ATOM 627 C LEU A 39 -0.537 4.217 2.905 1.00 73.21 C ATOM 628 O LEU A 39 0.565 3.825 2.522 1.00 74.24 O ATOM 629 CB LEU A 39 -1.566 6.324 1.941 1.00 25.31 C ATOM 630 CG LEU A 39 -0.721 6.887 0.767 1.00 1.13 C ATOM 631 CD1 LEU A 39 -0.278 8.322 1.040 1.00 21.21 C ATOM 632 CD2 LEU A 39 0.494 6.011 0.459 1.00 23.30 C ATOM 0 H LEU A 39 1.249 6.098 3.006 1.00 35.30 H new ATOM 0 HA LEU A 39 -1.457 5.791 4.027 1.00 63.25 H new ATOM 0 HB2 LEU A 39 -2.230 5.560 1.538 1.00 25.31 H new ATOM 0 HB3 LEU A 39 -2.197 7.130 2.315 1.00 25.31 H new ATOM 0 HG LEU A 39 -1.367 6.882 -0.111 1.00 1.13 H new ATOM 0 HD11 LEU A 39 0.312 8.687 0.199 1.00 21.21 H new ATOM 0 HD12 LEU A 39 -1.156 8.955 1.170 1.00 21.21 H new ATOM 0 HD13 LEU A 39 0.327 8.350 1.946 1.00 21.21 H new ATOM 0 HD21 LEU A 39 1.055 6.445 -0.369 1.00 23.30 H new ATOM 0 HD22 LEU A 39 1.134 5.954 1.340 1.00 23.30 H new ATOM 0 HD23 LEU A 39 0.161 5.010 0.187 1.00 23.30 H new ATOM 644 N THR A 40 -1.548 3.389 3.135 1.00 33.30 N ATOM 645 CA THR A 40 -1.432 1.945 2.912 1.00 64.05 C ATOM 646 C THR A 40 -1.681 1.586 1.445 1.00 32.40 C ATOM 647 O THR A 40 -2.794 1.731 0.936 1.00 14.13 O ATOM 648 CB THR A 40 -2.416 1.161 3.809 1.00 13.13 C ATOM 649 OG1 THR A 40 -2.122 1.430 5.192 1.00 34.23 O ATOM 650 CG2 THR A 40 -2.339 -0.343 3.543 1.00 50.45 C ATOM 0 H THR A 40 -2.461 3.689 3.477 1.00 33.30 H new ATOM 0 HA THR A 40 -0.412 1.663 3.174 1.00 64.05 H new ATOM 0 HB THR A 40 -3.429 1.489 3.575 1.00 13.13 H new ATOM 0 HG1 THR A 40 -2.747 0.934 5.762 1.00 34.23 H new ATOM 0 HG21 THR A 40 -3.044 -0.864 4.191 1.00 50.45 H new ATOM 0 HG22 THR A 40 -2.589 -0.541 2.501 1.00 50.45 H new ATOM 0 HG23 THR A 40 -1.329 -0.697 3.747 1.00 50.45 H new ATOM 658 N GLY A 41 -0.638 1.117 0.771 1.00 11.42 N ATOM 659 CA GLY A 41 -0.752 0.751 -0.631 1.00 15.21 C ATOM 660 C GLY A 41 -1.151 -0.702 -0.834 1.00 50.43 C ATOM 661 O GLY A 41 -0.707 -1.584 -0.097 1.00 40.13 O ATOM 0 H GLY A 41 0.290 0.982 1.172 1.00 11.42 H new ATOM 0 HA2 GLY A 41 -1.489 1.395 -1.110 1.00 15.21 H new ATOM 0 HA3 GLY A 41 0.201 0.933 -1.127 1.00 15.21 H new ATOM 665 N PHE A 42 -1.989 -0.955 -1.833 1.00 4.05 N ATOM 666 CA PHE A 42 -2.442 -2.315 -2.137 1.00 44.53 C ATOM 667 C PHE A 42 -1.773 -2.866 -3.409 1.00 0.35 C ATOM 668 O PHE A 42 -1.789 -2.229 -4.465 1.00 43.10 O ATOM 669 CB PHE A 42 -3.968 -2.342 -2.277 1.00 35.34 C ATOM 670 CG PHE A 42 -4.693 -1.973 -1.003 1.00 44.25 C ATOM 671 CD1 PHE A 42 -5.014 -0.650 -0.723 1.00 21.51 C ATOM 672 CD2 PHE A 42 -5.048 -2.951 -0.083 1.00 61.43 C ATOM 673 CE1 PHE A 42 -5.669 -0.314 0.447 1.00 22.40 C ATOM 674 CE2 PHE A 42 -5.704 -2.618 1.088 1.00 0.41 C ATOM 675 CZ PHE A 42 -6.015 -1.300 1.352 1.00 33.23 C ATOM 0 H PHE A 42 -2.371 -0.238 -2.449 1.00 4.05 H new ATOM 0 HA PHE A 42 -2.148 -2.959 -1.308 1.00 44.53 H new ATOM 0 HB2 PHE A 42 -4.265 -1.654 -3.068 1.00 35.34 H new ATOM 0 HB3 PHE A 42 -4.280 -3.339 -2.588 1.00 35.34 H new ATOM 0 HD1 PHE A 42 -4.749 0.124 -1.428 1.00 21.51 H new ATOM 0 HD2 PHE A 42 -4.809 -3.985 -0.285 1.00 61.43 H new ATOM 0 HE1 PHE A 42 -5.910 0.718 0.654 1.00 22.40 H new ATOM 0 HE2 PHE A 42 -5.973 -3.389 1.795 1.00 0.41 H new ATOM 0 HZ PHE A 42 -6.529 -1.039 2.265 1.00 33.23 H new ATOM 685 N ASP A 43 -1.185 -4.056 -3.284 1.00 31.00 N ATOM 686 CA ASP A 43 -0.505 -4.734 -4.398 1.00 63.33 C ATOM 687 C ASP A 43 -1.503 -5.229 -5.466 1.00 34.05 C ATOM 688 O ASP A 43 -2.696 -5.376 -5.199 1.00 43.20 O ATOM 689 CB ASP A 43 0.320 -5.905 -3.842 1.00 61.54 C ATOM 690 CG ASP A 43 0.902 -6.786 -4.931 1.00 41.34 C ATOM 691 OD1 ASP A 43 1.806 -6.332 -5.661 1.00 50.21 O ATOM 692 OD2 ASP A 43 0.435 -7.934 -5.082 1.00 23.13 O ATOM 0 H ASP A 43 -1.164 -4.581 -2.409 1.00 31.00 H new ATOM 0 HA ASP A 43 0.154 -4.018 -4.890 1.00 63.33 H new ATOM 0 HB2 ASP A 43 1.130 -5.513 -3.227 1.00 61.54 H new ATOM 0 HB3 ASP A 43 -0.310 -6.510 -3.190 1.00 61.54 H new ATOM 697 N LYS A 44 -0.993 -5.513 -6.669 1.00 11.24 N ATOM 698 CA LYS A 44 -1.829 -5.944 -7.803 1.00 42.02 C ATOM 699 C LYS A 44 -2.516 -7.310 -7.583 1.00 12.23 C ATOM 700 O LYS A 44 -3.372 -7.709 -8.370 1.00 3.02 O ATOM 701 CB LYS A 44 -1.006 -5.932 -9.110 1.00 12.30 C ATOM 702 CG LYS A 44 0.389 -6.579 -9.033 1.00 33.45 C ATOM 703 CD LYS A 44 0.380 -8.086 -9.336 1.00 22.34 C ATOM 704 CE LYS A 44 0.588 -8.935 -8.086 1.00 55.05 C ATOM 705 NZ LYS A 44 1.844 -8.579 -7.370 1.00 40.34 N ATOM 0 H LYS A 44 0.002 -5.453 -6.887 1.00 11.24 H new ATOM 0 HA LYS A 44 -2.641 -5.221 -7.885 1.00 42.02 H new ATOM 0 HB2 LYS A 44 -1.580 -6.443 -9.883 1.00 12.30 H new ATOM 0 HB3 LYS A 44 -0.888 -4.898 -9.433 1.00 12.30 H new ATOM 0 HG2 LYS A 44 1.053 -6.078 -9.737 1.00 33.45 H new ATOM 0 HG3 LYS A 44 0.801 -6.419 -8.037 1.00 33.45 H new ATOM 0 HD2 LYS A 44 -0.569 -8.354 -9.800 1.00 22.34 H new ATOM 0 HD3 LYS A 44 1.163 -8.312 -10.059 1.00 22.34 H new ATOM 0 HE2 LYS A 44 -0.261 -8.805 -7.415 1.00 55.05 H new ATOM 0 HE3 LYS A 44 0.616 -9.989 -8.364 1.00 55.05 H new ATOM 0 HZ1 LYS A 44 2.501 -9.385 -7.399 1.00 40.34 H new ATOM 0 HZ2 LYS A 44 2.285 -7.757 -7.830 1.00 40.34 H new ATOM 0 HZ3 LYS A 44 1.625 -8.346 -6.380 1.00 40.34 H new ATOM 719 N ASP A 45 -2.143 -8.028 -6.524 1.00 62.13 N ATOM 720 CA ASP A 45 -2.846 -9.265 -6.140 1.00 13.32 C ATOM 721 C ASP A 45 -3.886 -8.985 -5.039 1.00 54.11 C ATOM 722 O ASP A 45 -4.718 -9.838 -4.713 1.00 63.24 O ATOM 723 CB ASP A 45 -1.836 -10.324 -5.669 1.00 24.14 C ATOM 724 CG ASP A 45 -2.502 -11.631 -5.262 1.00 20.13 C ATOM 725 OD1 ASP A 45 -2.896 -12.408 -6.157 1.00 3.44 O ATOM 726 OD2 ASP A 45 -2.651 -11.878 -4.047 1.00 40.34 O ATOM 0 H ASP A 45 -1.363 -7.781 -5.915 1.00 62.13 H new ATOM 0 HA ASP A 45 -3.373 -9.647 -7.014 1.00 13.32 H new ATOM 0 HB2 ASP A 45 -1.121 -10.519 -6.468 1.00 24.14 H new ATOM 0 HB3 ASP A 45 -1.271 -9.931 -4.824 1.00 24.14 H new ATOM 731 N GLY A 46 -3.838 -7.782 -4.478 1.00 60.44 N ATOM 732 CA GLY A 46 -4.757 -7.401 -3.413 1.00 24.24 C ATOM 733 C GLY A 46 -4.182 -7.625 -2.018 1.00 55.45 C ATOM 734 O GLY A 46 -4.829 -8.232 -1.165 1.00 2.01 O ATOM 0 H GLY A 46 -3.173 -7.055 -4.743 1.00 60.44 H new ATOM 0 HA2 GLY A 46 -5.019 -6.349 -3.527 1.00 24.24 H new ATOM 0 HA3 GLY A 46 -5.679 -7.973 -3.515 1.00 24.24 H new ATOM 738 N LYS A 47 -2.960 -7.145 -1.787 1.00 13.11 N ATOM 739 CA LYS A 47 -2.319 -7.241 -0.465 1.00 73.45 C ATOM 740 C LYS A 47 -1.996 -5.846 0.088 1.00 10.33 C ATOM 741 O LYS A 47 -1.798 -4.904 -0.674 1.00 12.15 O ATOM 742 CB LYS A 47 -1.040 -8.090 -0.533 1.00 40.43 C ATOM 743 CG LYS A 47 -1.283 -9.551 -0.907 1.00 22.11 C ATOM 744 CD LYS A 47 -0.022 -10.392 -0.736 1.00 34.10 C ATOM 745 CE LYS A 47 -0.260 -11.858 -1.080 1.00 55.13 C ATOM 746 NZ LYS A 47 -0.557 -12.057 -2.524 1.00 12.11 N ATOM 0 H LYS A 47 -2.389 -6.684 -2.496 1.00 13.11 H new ATOM 0 HA LYS A 47 -3.023 -7.729 0.209 1.00 73.45 H new ATOM 0 HB2 LYS A 47 -0.361 -7.647 -1.262 1.00 40.43 H new ATOM 0 HB3 LYS A 47 -0.539 -8.052 0.434 1.00 40.43 H new ATOM 0 HG2 LYS A 47 -2.080 -9.959 -0.285 1.00 22.11 H new ATOM 0 HG3 LYS A 47 -1.623 -9.611 -1.941 1.00 22.11 H new ATOM 0 HD2 LYS A 47 0.768 -9.994 -1.373 1.00 34.10 H new ATOM 0 HD3 LYS A 47 0.329 -10.314 0.293 1.00 34.10 H new ATOM 0 HE2 LYS A 47 0.621 -12.440 -0.809 1.00 55.13 H new ATOM 0 HE3 LYS A 47 -1.090 -12.239 -0.485 1.00 55.13 H new ATOM 0 HZ1 LYS A 47 -0.494 -13.069 -2.755 1.00 12.11 H new ATOM 0 HZ2 LYS A 47 -1.516 -11.713 -2.732 1.00 12.11 H new ATOM 0 HZ3 LYS A 47 0.132 -11.528 -3.096 1.00 12.11 H new ATOM 760 N GLU A 48 -1.928 -5.724 1.412 1.00 41.14 N ATOM 761 CA GLU A 48 -1.716 -4.421 2.066 1.00 13.15 C ATOM 762 C GLU A 48 -0.240 -4.182 2.438 1.00 74.51 C ATOM 763 O GLU A 48 0.532 -5.130 2.617 1.00 74.32 O ATOM 764 CB GLU A 48 -2.583 -4.330 3.335 1.00 61.10 C ATOM 765 CG GLU A 48 -2.263 -5.404 4.373 1.00 21.33 C ATOM 766 CD GLU A 48 -3.072 -5.263 5.654 1.00 14.33 C ATOM 767 OE1 GLU A 48 -4.252 -5.670 5.665 1.00 64.25 O ATOM 768 OE2 GLU A 48 -2.528 -4.762 6.658 1.00 53.12 O ATOM 0 H GLU A 48 -2.016 -6.508 2.059 1.00 41.14 H new ATOM 0 HA GLU A 48 -2.004 -3.650 1.351 1.00 13.15 H new ATOM 0 HB2 GLU A 48 -2.448 -3.348 3.787 1.00 61.10 H new ATOM 0 HB3 GLU A 48 -3.633 -4.410 3.054 1.00 61.10 H new ATOM 0 HG2 GLU A 48 -2.451 -6.386 3.939 1.00 21.33 H new ATOM 0 HG3 GLU A 48 -1.201 -5.360 4.615 1.00 21.33 H new ATOM 775 N LYS A 49 0.139 -2.905 2.536 1.00 75.53 N ATOM 776 CA LYS A 49 1.467 -2.507 3.028 1.00 13.00 C ATOM 777 C LYS A 49 1.536 -0.985 3.265 1.00 12.03 C ATOM 778 O LYS A 49 0.947 -0.207 2.518 1.00 25.33 O ATOM 779 CB LYS A 49 2.566 -2.951 2.048 1.00 42.41 C ATOM 780 CG LYS A 49 3.978 -2.577 2.495 1.00 15.35 C ATOM 781 CD LYS A 49 5.056 -3.330 1.713 1.00 31.22 C ATOM 782 CE LYS A 49 4.959 -4.838 1.934 1.00 11.51 C ATOM 783 NZ LYS A 49 6.117 -5.570 1.349 1.00 42.03 N ATOM 0 H LYS A 49 -0.459 -2.120 2.279 1.00 75.53 H new ATOM 0 HA LYS A 49 1.634 -3.006 3.982 1.00 13.00 H new ATOM 0 HB2 LYS A 49 2.510 -4.032 1.919 1.00 42.41 H new ATOM 0 HB3 LYS A 49 2.373 -2.503 1.073 1.00 42.41 H new ATOM 0 HG2 LYS A 49 4.124 -1.504 2.369 1.00 15.35 H new ATOM 0 HG3 LYS A 49 4.088 -2.791 3.558 1.00 15.35 H new ATOM 0 HD2 LYS A 49 4.956 -3.110 0.650 1.00 31.22 H new ATOM 0 HD3 LYS A 49 6.041 -2.979 2.020 1.00 31.22 H new ATOM 0 HE2 LYS A 49 4.904 -5.044 3.003 1.00 11.51 H new ATOM 0 HE3 LYS A 49 4.035 -5.209 1.490 1.00 11.51 H new ATOM 0 HZ1 LYS A 49 6.007 -6.589 1.524 1.00 42.03 H new ATOM 0 HZ2 LYS A 49 6.156 -5.396 0.324 1.00 42.03 H new ATOM 0 HZ3 LYS A 49 6.998 -5.236 1.790 1.00 42.03 H new ATOM 797 N GLU A 50 2.252 -0.569 4.307 1.00 35.54 N ATOM 798 CA GLU A 50 2.355 0.854 4.669 1.00 22.41 C ATOM 799 C GLU A 50 3.450 1.574 3.850 1.00 14.22 C ATOM 800 O GLU A 50 4.638 1.257 3.968 1.00 14.35 O ATOM 801 CB GLU A 50 2.649 0.984 6.172 1.00 3.10 C ATOM 802 CG GLU A 50 2.599 2.416 6.702 1.00 13.10 C ATOM 803 CD GLU A 50 1.187 2.991 6.753 1.00 31.31 C ATOM 804 OE1 GLU A 50 0.490 2.788 7.771 1.00 53.44 O ATOM 805 OE2 GLU A 50 0.773 3.668 5.792 1.00 11.34 O ATOM 0 H GLU A 50 2.773 -1.195 4.921 1.00 35.54 H new ATOM 0 HA GLU A 50 1.403 1.332 4.437 1.00 22.41 H new ATOM 0 HB2 GLU A 50 1.930 0.379 6.724 1.00 3.10 H new ATOM 0 HB3 GLU A 50 3.636 0.569 6.374 1.00 3.10 H new ATOM 0 HG2 GLU A 50 3.030 2.441 7.703 1.00 13.10 H new ATOM 0 HG3 GLU A 50 3.220 3.052 6.071 1.00 13.10 H new ATOM 812 N LEU A 51 3.046 2.543 3.026 1.00 24.05 N ATOM 813 CA LEU A 51 3.988 3.307 2.191 1.00 43.45 C ATOM 814 C LEU A 51 4.101 4.774 2.649 1.00 2.55 C ATOM 815 O LEU A 51 3.172 5.335 3.231 1.00 43.21 O ATOM 816 CB LEU A 51 3.568 3.268 0.707 1.00 32.24 C ATOM 817 CG LEU A 51 3.900 1.973 -0.067 1.00 72.13 C ATOM 818 CD1 LEU A 51 3.106 0.782 0.462 1.00 21.03 C ATOM 819 CD2 LEU A 51 3.646 2.164 -1.564 1.00 32.22 C ATOM 0 H LEU A 51 2.071 2.821 2.916 1.00 24.05 H new ATOM 0 HA LEU A 51 4.963 2.833 2.304 1.00 43.45 H new ATOM 0 HB2 LEU A 51 2.492 3.432 0.652 1.00 32.24 H new ATOM 0 HB3 LEU A 51 4.045 4.104 0.195 1.00 32.24 H new ATOM 0 HG LEU A 51 4.958 1.759 0.086 1.00 72.13 H new ATOM 0 HD11 LEU A 51 3.366 -0.110 -0.107 1.00 21.03 H new ATOM 0 HD12 LEU A 51 3.344 0.624 1.514 1.00 21.03 H new ATOM 0 HD13 LEU A 51 2.039 0.981 0.358 1.00 21.03 H new ATOM 0 HD21 LEU A 51 3.885 1.242 -2.094 1.00 32.22 H new ATOM 0 HD22 LEU A 51 2.598 2.414 -1.726 1.00 32.22 H new ATOM 0 HD23 LEU A 51 4.274 2.972 -1.939 1.00 32.22 H new ATOM 831 N GLU A 52 5.251 5.389 2.365 1.00 14.31 N ATOM 832 CA GLU A 52 5.497 6.801 2.688 1.00 73.14 C ATOM 833 C GLU A 52 6.298 7.479 1.561 1.00 14.23 C ATOM 834 O GLU A 52 7.166 6.853 0.945 1.00 52.20 O ATOM 835 CB GLU A 52 6.273 6.923 4.013 1.00 41.54 C ATOM 836 CG GLU A 52 7.713 6.418 3.922 1.00 63.21 C ATOM 837 CD GLU A 52 8.476 6.510 5.234 1.00 3.32 C ATOM 838 OE1 GLU A 52 8.679 7.636 5.738 1.00 51.21 O ATOM 839 OE2 GLU A 52 8.906 5.454 5.752 1.00 60.11 O ATOM 0 H GLU A 52 6.036 4.927 1.907 1.00 14.31 H new ATOM 0 HA GLU A 52 4.533 7.298 2.791 1.00 73.14 H new ATOM 0 HB2 GLU A 52 6.281 7.967 4.326 1.00 41.54 H new ATOM 0 HB3 GLU A 52 5.747 6.363 4.786 1.00 41.54 H new ATOM 0 HG2 GLU A 52 7.705 5.380 3.589 1.00 63.21 H new ATOM 0 HG3 GLU A 52 8.243 6.993 3.162 1.00 63.21 H new ATOM 846 N PHE A 53 6.009 8.753 1.290 1.00 44.10 N ATOM 847 CA PHE A 53 6.758 9.511 0.277 1.00 1.24 C ATOM 848 C PHE A 53 6.510 11.023 0.387 1.00 50.14 C ATOM 849 O PHE A 53 5.577 11.471 1.055 1.00 1.30 O ATOM 850 CB PHE A 53 6.412 9.017 -1.139 1.00 61.53 C ATOM 851 CG PHE A 53 4.943 9.073 -1.477 1.00 62.55 C ATOM 852 CD1 PHE A 53 4.365 10.247 -1.944 1.00 74.41 C ATOM 853 CD2 PHE A 53 4.143 7.950 -1.335 1.00 11.10 C ATOM 854 CE1 PHE A 53 3.023 10.294 -2.260 1.00 24.51 C ATOM 855 CE2 PHE A 53 2.802 7.993 -1.650 1.00 44.13 C ATOM 856 CZ PHE A 53 2.240 9.167 -2.112 1.00 74.23 C ATOM 0 H PHE A 53 5.269 9.281 1.752 1.00 44.10 H new ATOM 0 HA PHE A 53 7.817 9.336 0.466 1.00 1.24 H new ATOM 0 HB2 PHE A 53 6.962 9.616 -1.864 1.00 61.53 H new ATOM 0 HB3 PHE A 53 6.758 7.989 -1.247 1.00 61.53 H new ATOM 0 HD1 PHE A 53 4.973 11.132 -2.061 1.00 74.41 H new ATOM 0 HD2 PHE A 53 4.576 7.029 -0.973 1.00 11.10 H new ATOM 0 HE1 PHE A 53 2.585 11.212 -2.623 1.00 24.51 H new ATOM 0 HE2 PHE A 53 2.191 7.110 -1.536 1.00 44.13 H new ATOM 0 HZ PHE A 53 1.189 9.203 -2.357 1.00 74.23 H new ATOM 866 N THR A 54 7.368 11.803 -0.271 1.00 13.42 N ATOM 867 CA THR A 54 7.239 13.267 -0.302 1.00 31.44 C ATOM 868 C THR A 54 6.688 13.746 -1.651 1.00 52.41 C ATOM 869 O THR A 54 7.198 13.370 -2.705 1.00 54.14 O ATOM 870 CB THR A 54 8.598 13.961 -0.048 1.00 11.11 C ATOM 871 OG1 THR A 54 9.573 13.501 -1.003 1.00 65.21 O ATOM 872 CG2 THR A 54 9.098 13.694 1.372 1.00 23.45 C ATOM 0 H THR A 54 8.167 11.445 -0.795 1.00 13.42 H new ATOM 0 HA THR A 54 6.544 13.536 0.493 1.00 31.44 H new ATOM 0 HB THR A 54 8.455 15.035 -0.164 1.00 11.11 H new ATOM 0 HG1 THR A 54 9.153 13.415 -1.884 1.00 65.21 H new ATOM 0 HG21 THR A 54 10.055 14.194 1.521 1.00 23.45 H new ATOM 0 HG22 THR A 54 8.373 14.076 2.091 1.00 23.45 H new ATOM 0 HG23 THR A 54 9.223 12.621 1.518 1.00 23.45 H new ATOM 880 N ALA A 55 5.659 14.588 -1.615 1.00 50.32 N ATOM 881 CA ALA A 55 5.005 15.066 -2.840 1.00 35.34 C ATOM 882 C ALA A 55 5.465 16.482 -3.229 1.00 43.10 C ATOM 883 O ALA A 55 5.688 17.340 -2.373 1.00 70.41 O ATOM 884 CB ALA A 55 3.492 15.038 -2.666 1.00 2.13 C ATOM 0 H ALA A 55 5.256 14.956 -0.753 1.00 50.32 H new ATOM 0 HA ALA A 55 5.295 14.396 -3.649 1.00 35.34 H new ATOM 0 HB1 ALA A 55 3.014 15.394 -3.579 1.00 2.13 H new ATOM 0 HB2 ALA A 55 3.168 14.018 -2.461 1.00 2.13 H new ATOM 0 HB3 ALA A 55 3.210 15.682 -1.834 1.00 2.13 H new ATOM 890 N GLN A 56 5.601 16.713 -4.537 1.00 71.12 N ATOM 891 CA GLN A 56 5.968 18.034 -5.073 1.00 33.14 C ATOM 892 C GLN A 56 4.724 18.940 -5.204 1.00 22.22 C ATOM 893 O GLN A 56 4.826 20.135 -5.483 1.00 23.42 O ATOM 894 CB GLN A 56 6.655 17.856 -6.441 1.00 62.14 C ATOM 895 CG GLN A 56 7.283 19.132 -7.010 1.00 21.53 C ATOM 896 CD GLN A 56 8.528 19.589 -6.255 1.00 42.32 C ATOM 897 OE1 GLN A 56 8.669 19.367 -5.055 1.00 1.34 O ATOM 898 NE2 GLN A 56 9.437 20.244 -6.952 1.00 12.22 N ATOM 0 H GLN A 56 5.462 15.999 -5.252 1.00 71.12 H new ATOM 0 HA GLN A 56 6.659 18.518 -4.383 1.00 33.14 H new ATOM 0 HB2 GLN A 56 7.430 17.096 -6.347 1.00 62.14 H new ATOM 0 HB3 GLN A 56 5.923 17.478 -7.154 1.00 62.14 H new ATOM 0 HG2 GLN A 56 7.543 18.964 -8.055 1.00 21.53 H new ATOM 0 HG3 GLN A 56 6.542 19.932 -6.990 1.00 21.53 H new ATOM 0 HE21 GLN A 56 9.292 20.413 -7.947 1.00 12.22 H new ATOM 0 HE22 GLN A 56 10.285 20.581 -6.495 1.00 12.22 H new ATOM 907 N LYS A 57 3.549 18.350 -4.988 1.00 22.25 N ATOM 908 CA LYS A 57 2.267 19.067 -5.058 1.00 60.24 C ATOM 909 C LYS A 57 1.314 18.577 -3.961 1.00 52.24 C ATOM 910 O LYS A 57 1.526 17.514 -3.376 1.00 15.24 O ATOM 911 CB LYS A 57 1.603 18.836 -6.429 1.00 0.21 C ATOM 912 CG LYS A 57 1.359 17.355 -6.739 1.00 15.12 C ATOM 913 CD LYS A 57 0.457 17.137 -7.957 1.00 4.52 C ATOM 914 CE LYS A 57 -0.970 17.616 -7.706 1.00 21.52 C ATOM 915 NZ LYS A 57 -1.890 17.256 -8.822 1.00 45.33 N ATOM 0 H LYS A 57 3.454 17.361 -4.759 1.00 22.25 H new ATOM 0 HA LYS A 57 2.467 20.129 -4.917 1.00 60.24 H new ATOM 0 HB2 LYS A 57 0.652 19.368 -6.460 1.00 0.21 H new ATOM 0 HB3 LYS A 57 2.234 19.265 -7.208 1.00 0.21 H new ATOM 0 HG2 LYS A 57 2.317 16.863 -6.911 1.00 15.12 H new ATOM 0 HG3 LYS A 57 0.907 16.878 -5.870 1.00 15.12 H new ATOM 0 HD2 LYS A 57 0.872 17.667 -8.814 1.00 4.52 H new ATOM 0 HD3 LYS A 57 0.444 16.078 -8.213 1.00 4.52 H new ATOM 0 HE2 LYS A 57 -1.340 17.180 -6.778 1.00 21.52 H new ATOM 0 HE3 LYS A 57 -0.970 18.698 -7.572 1.00 21.52 H new ATOM 0 HZ1 LYS A 57 -2.876 17.367 -8.509 1.00 45.33 H new ATOM 0 HZ2 LYS A 57 -1.712 17.881 -9.634 1.00 45.33 H new ATOM 0 HZ3 LYS A 57 -1.725 16.268 -9.103 1.00 45.33 H new ATOM 929 N ASN A 58 0.261 19.344 -3.685 1.00 13.10 N ATOM 930 CA ASN A 58 -0.806 18.863 -2.806 1.00 44.10 C ATOM 931 C ASN A 58 -1.726 17.924 -3.607 1.00 44.42 C ATOM 932 O ASN A 58 -2.506 18.362 -4.455 1.00 40.14 O ATOM 933 CB ASN A 58 -1.601 20.030 -2.199 1.00 60.54 C ATOM 934 CG ASN A 58 -2.409 19.606 -0.977 1.00 62.35 C ATOM 935 OD1 ASN A 58 -2.831 18.462 -0.855 1.00 45.41 O ATOM 936 ND2 ASN A 58 -2.628 20.526 -0.060 1.00 43.53 N ATOM 0 H ASN A 58 0.123 20.286 -4.050 1.00 13.10 H new ATOM 0 HA ASN A 58 -0.364 18.315 -1.974 1.00 44.10 H new ATOM 0 HB2 ASN A 58 -0.914 20.828 -1.918 1.00 60.54 H new ATOM 0 HB3 ASN A 58 -2.274 20.439 -2.953 1.00 60.54 H new ATOM 0 HD21 ASN A 58 -3.161 20.294 0.778 1.00 43.53 H new ATOM 0 HD22 ASN A 58 -2.265 21.470 -0.188 1.00 43.53 H new ATOM 943 N LEU A 59 -1.601 16.630 -3.344 1.00 31.31 N ATOM 944 CA LEU A 59 -2.230 15.589 -4.163 1.00 51.35 C ATOM 945 C LEU A 59 -3.769 15.624 -4.106 1.00 44.21 C ATOM 946 O LEU A 59 -4.365 16.078 -3.126 1.00 31.13 O ATOM 947 CB LEU A 59 -1.698 14.227 -3.710 1.00 23.03 C ATOM 948 CG LEU A 59 -0.175 14.053 -3.868 1.00 40.31 C ATOM 949 CD1 LEU A 59 0.329 12.852 -3.074 1.00 52.12 C ATOM 950 CD2 LEU A 59 0.201 13.925 -5.343 1.00 4.23 C ATOM 0 H LEU A 59 -1.062 16.267 -2.558 1.00 31.31 H new ATOM 0 HA LEU A 59 -1.970 15.773 -5.205 1.00 51.35 H new ATOM 0 HB2 LEU A 59 -1.962 14.078 -2.663 1.00 23.03 H new ATOM 0 HB3 LEU A 59 -2.202 13.446 -4.280 1.00 23.03 H new ATOM 0 HG LEU A 59 0.308 14.943 -3.466 1.00 40.31 H new ATOM 0 HD11 LEU A 59 1.407 12.755 -3.205 1.00 52.12 H new ATOM 0 HD12 LEU A 59 0.104 12.994 -2.017 1.00 52.12 H new ATOM 0 HD13 LEU A 59 -0.163 11.947 -3.431 1.00 52.12 H new ATOM 0 HD21 LEU A 59 1.280 13.803 -5.434 1.00 4.23 H new ATOM 0 HD22 LEU A 59 -0.300 13.057 -5.772 1.00 4.23 H new ATOM 0 HD23 LEU A 59 -0.109 14.823 -5.877 1.00 4.23 H new ATOM 962 N ARG A 60 -4.404 15.143 -5.175 1.00 12.13 N ATOM 963 CA ARG A 60 -5.869 15.120 -5.267 1.00 55.41 C ATOM 964 C ARG A 60 -6.488 14.171 -4.225 1.00 45.22 C ATOM 965 O ARG A 60 -6.347 12.954 -4.311 1.00 64.31 O ATOM 966 CB ARG A 60 -6.311 14.705 -6.679 1.00 63.21 C ATOM 967 CG ARG A 60 -5.903 15.689 -7.776 1.00 1.21 C ATOM 968 CD ARG A 60 -6.329 15.207 -9.161 1.00 42.34 C ATOM 969 NE ARG A 60 -5.996 16.169 -10.214 1.00 33.40 N ATOM 970 CZ ARG A 60 -5.856 15.862 -11.480 1.00 44.54 C ATOM 971 NH1 ARG A 60 -5.932 14.627 -11.871 1.00 4.41 N ATOM 972 NH2 ARG A 60 -5.616 16.793 -12.348 1.00 3.33 N ATOM 0 H ARG A 60 -3.928 14.762 -5.993 1.00 12.13 H new ATOM 0 HA ARG A 60 -6.226 16.129 -5.059 1.00 55.41 H new ATOM 0 HB2 ARG A 60 -5.888 13.727 -6.908 1.00 63.21 H new ATOM 0 HB3 ARG A 60 -7.395 14.594 -6.691 1.00 63.21 H new ATOM 0 HG2 ARG A 60 -6.352 16.662 -7.576 1.00 1.21 H new ATOM 0 HG3 ARG A 60 -4.822 15.827 -7.756 1.00 1.21 H new ATOM 0 HD2 ARG A 60 -5.844 14.255 -9.376 1.00 42.34 H new ATOM 0 HD3 ARG A 60 -7.404 15.026 -9.165 1.00 42.34 H new ATOM 0 HE ARG A 60 -5.864 17.144 -9.944 1.00 33.40 H new ATOM 0 HH11 ARG A 60 -6.102 13.886 -11.191 1.00 4.41 H new ATOM 0 HH12 ARG A 60 -5.822 14.397 -12.859 1.00 4.41 H new ATOM 0 HH21 ARG A 60 -5.536 17.764 -12.046 1.00 3.33 H new ATOM 0 HH22 ARG A 60 -5.507 16.555 -13.334 1.00 3.33 H new ATOM 986 N LYS A 61 -7.183 14.742 -3.244 1.00 73.13 N ATOM 987 CA LYS A 61 -7.836 13.955 -2.191 1.00 45.33 C ATOM 988 C LYS A 61 -8.824 12.920 -2.766 1.00 62.34 C ATOM 989 O LYS A 61 -9.554 13.199 -3.723 1.00 44.54 O ATOM 990 CB LYS A 61 -8.548 14.892 -1.206 1.00 74.21 C ATOM 991 CG LYS A 61 -9.506 15.877 -1.870 1.00 31.13 C ATOM 992 CD LYS A 61 -10.074 16.873 -0.862 1.00 31.42 C ATOM 993 CE LYS A 61 -10.951 17.927 -1.527 1.00 1.33 C ATOM 994 NZ LYS A 61 -11.472 18.906 -0.541 1.00 41.14 N ATOM 0 H LYS A 61 -7.311 15.750 -3.153 1.00 73.13 H new ATOM 0 HA LYS A 61 -7.062 13.397 -1.665 1.00 45.33 H new ATOM 0 HB2 LYS A 61 -9.103 14.291 -0.485 1.00 74.21 H new ATOM 0 HB3 LYS A 61 -7.799 15.451 -0.646 1.00 74.21 H new ATOM 0 HG2 LYS A 61 -8.984 16.416 -2.661 1.00 31.13 H new ATOM 0 HG3 LYS A 61 -10.322 15.330 -2.342 1.00 31.13 H new ATOM 0 HD2 LYS A 61 -10.657 16.337 -0.113 1.00 31.42 H new ATOM 0 HD3 LYS A 61 -9.254 17.363 -0.337 1.00 31.42 H new ATOM 0 HE2 LYS A 61 -10.376 18.450 -2.291 1.00 1.33 H new ATOM 0 HE3 LYS A 61 -11.785 17.441 -2.033 1.00 1.33 H new ATOM 0 HZ1 LYS A 61 -12.064 19.608 -1.029 1.00 41.14 H new ATOM 0 HZ2 LYS A 61 -12.041 18.409 0.174 1.00 41.14 H new ATOM 0 HZ3 LYS A 61 -10.676 19.388 -0.076 1.00 41.14 H new ATOM 1008 N GLU A 62 -8.818 11.720 -2.175 1.00 32.33 N ATOM 1009 CA GLU A 62 -9.673 10.602 -2.616 1.00 24.32 C ATOM 1010 C GLU A 62 -9.303 10.128 -4.041 1.00 24.44 C ATOM 1011 O GLU A 62 -10.097 9.467 -4.715 1.00 24.41 O ATOM 1012 CB GLU A 62 -11.170 10.987 -2.542 1.00 14.52 C ATOM 1013 CG GLU A 62 -12.066 9.946 -1.860 1.00 25.43 C ATOM 1014 CD GLU A 62 -12.025 8.572 -2.520 1.00 42.23 C ATOM 1015 OE1 GLU A 62 -12.832 8.322 -3.449 1.00 75.42 O ATOM 1016 OE2 GLU A 62 -11.208 7.728 -2.094 1.00 22.32 O ATOM 0 H GLU A 62 -8.223 11.492 -1.378 1.00 32.33 H new ATOM 0 HA GLU A 62 -9.497 9.770 -1.934 1.00 24.32 H new ATOM 0 HB2 GLU A 62 -11.262 11.932 -2.007 1.00 14.52 H new ATOM 0 HB3 GLU A 62 -11.538 11.156 -3.554 1.00 14.52 H new ATOM 0 HG2 GLU A 62 -11.764 9.847 -0.817 1.00 25.43 H new ATOM 0 HG3 GLU A 62 -13.094 10.309 -1.861 1.00 25.43 H new ATOM 1023 N ALA A 63 -8.108 10.486 -4.507 1.00 34.35 N ATOM 1024 CA ALA A 63 -7.586 9.977 -5.782 1.00 75.01 C ATOM 1025 C ALA A 63 -6.526 8.895 -5.539 1.00 33.52 C ATOM 1026 O ALA A 63 -5.981 8.786 -4.436 1.00 22.21 O ATOM 1027 CB ALA A 63 -7.009 11.112 -6.621 1.00 40.01 C ATOM 0 H ALA A 63 -7.479 11.127 -4.023 1.00 34.35 H new ATOM 0 HA ALA A 63 -8.413 9.530 -6.334 1.00 75.01 H new ATOM 0 HB1 ALA A 63 -6.628 10.712 -7.561 1.00 40.01 H new ATOM 0 HB2 ALA A 63 -7.789 11.845 -6.828 1.00 40.01 H new ATOM 0 HB3 ALA A 63 -6.197 11.592 -6.075 1.00 40.01 H new ATOM 1033 N PHE A 64 -6.227 8.104 -6.568 1.00 32.32 N ATOM 1034 CA PHE A 64 -5.288 6.984 -6.436 1.00 73.03 C ATOM 1035 C PHE A 64 -3.977 7.235 -7.193 1.00 63.14 C ATOM 1036 O PHE A 64 -3.974 7.608 -8.365 1.00 51.31 O ATOM 1037 CB PHE A 64 -5.940 5.678 -6.923 1.00 33.32 C ATOM 1038 CG PHE A 64 -6.973 5.124 -5.970 1.00 50.34 C ATOM 1039 CD1 PHE A 64 -8.254 5.661 -5.916 1.00 12.14 C ATOM 1040 CD2 PHE A 64 -6.660 4.066 -5.129 1.00 45.45 C ATOM 1041 CE1 PHE A 64 -9.196 5.151 -5.041 1.00 71.10 C ATOM 1042 CE2 PHE A 64 -7.600 3.554 -4.254 1.00 12.43 C ATOM 1043 CZ PHE A 64 -8.871 4.096 -4.211 1.00 25.43 C ATOM 0 H PHE A 64 -6.619 8.215 -7.503 1.00 32.32 H new ATOM 0 HA PHE A 64 -5.042 6.892 -5.378 1.00 73.03 H new ATOM 0 HB2 PHE A 64 -6.409 5.855 -7.891 1.00 33.32 H new ATOM 0 HB3 PHE A 64 -5.163 4.930 -7.078 1.00 33.32 H new ATOM 0 HD1 PHE A 64 -8.516 6.485 -6.564 1.00 12.14 H new ATOM 0 HD2 PHE A 64 -5.669 3.637 -5.158 1.00 45.45 H new ATOM 0 HE1 PHE A 64 -10.187 5.578 -5.007 1.00 71.10 H new ATOM 0 HE2 PHE A 64 -7.341 2.731 -3.604 1.00 12.43 H new ATOM 0 HZ PHE A 64 -9.608 3.696 -3.530 1.00 25.43 H new ATOM 1053 N LEU A 65 -2.861 7.032 -6.504 1.00 14.24 N ATOM 1054 CA LEU A 65 -1.540 7.122 -7.120 1.00 63.00 C ATOM 1055 C LEU A 65 -0.991 5.730 -7.445 1.00 3.33 C ATOM 1056 O LEU A 65 -0.952 4.853 -6.580 1.00 12.33 O ATOM 1057 CB LEU A 65 -0.553 7.834 -6.187 1.00 75.42 C ATOM 1058 CG LEU A 65 -0.834 9.314 -5.906 1.00 55.14 C ATOM 1059 CD1 LEU A 65 0.149 9.847 -4.871 1.00 75.12 C ATOM 1060 CD2 LEU A 65 -0.743 10.132 -7.184 1.00 2.02 C ATOM 0 H LEU A 65 -2.844 6.802 -5.510 1.00 14.24 H new ATOM 0 HA LEU A 65 -1.650 7.693 -8.042 1.00 63.00 H new ATOM 0 HB2 LEU A 65 -0.536 7.302 -5.236 1.00 75.42 H new ATOM 0 HB3 LEU A 65 0.445 7.750 -6.616 1.00 75.42 H new ATOM 0 HG LEU A 65 -1.847 9.403 -5.513 1.00 55.14 H new ATOM 0 HD11 LEU A 65 -0.060 10.899 -4.679 1.00 75.12 H new ATOM 0 HD12 LEU A 65 0.045 9.282 -3.945 1.00 75.12 H new ATOM 0 HD13 LEU A 65 1.166 9.742 -5.248 1.00 75.12 H new ATOM 0 HD21 LEU A 65 -0.946 11.179 -6.961 1.00 2.02 H new ATOM 0 HD22 LEU A 65 0.258 10.038 -7.606 1.00 2.02 H new ATOM 0 HD23 LEU A 65 -1.475 9.766 -7.903 1.00 2.02 H new ATOM 1072 N ARG A 66 -0.574 5.526 -8.689 1.00 10.14 N ATOM 1073 CA ARG A 66 0.160 4.313 -9.055 1.00 51.33 C ATOM 1074 C ARG A 66 1.638 4.482 -8.684 1.00 32.32 C ATOM 1075 O ARG A 66 2.445 4.957 -9.484 1.00 24.33 O ATOM 1076 CB ARG A 66 0.006 4.009 -10.553 1.00 71.11 C ATOM 1077 CG ARG A 66 -1.434 3.743 -10.969 1.00 22.32 C ATOM 1078 CD ARG A 66 -1.546 3.392 -12.449 1.00 24.22 C ATOM 1079 NE ARG A 66 -0.877 2.133 -12.778 1.00 4.42 N ATOM 1080 CZ ARG A 66 -1.345 1.258 -13.629 1.00 21.53 C ATOM 1081 NH1 ARG A 66 -2.477 1.458 -14.226 1.00 32.21 N ATOM 1082 NH2 ARG A 66 -0.684 0.179 -13.887 1.00 10.15 N ATOM 0 H ARG A 66 -0.728 6.177 -9.459 1.00 10.14 H new ATOM 0 HA ARG A 66 -0.253 3.468 -8.504 1.00 51.33 H new ATOM 0 HB2 ARG A 66 0.394 4.849 -11.129 1.00 71.11 H new ATOM 0 HB3 ARG A 66 0.616 3.141 -10.805 1.00 71.11 H new ATOM 0 HG2 ARG A 66 -1.839 2.927 -10.371 1.00 22.32 H new ATOM 0 HG3 ARG A 66 -2.041 4.624 -10.758 1.00 22.32 H new ATOM 0 HD2 ARG A 66 -2.598 3.323 -12.724 1.00 24.22 H new ATOM 0 HD3 ARG A 66 -1.113 4.196 -13.044 1.00 24.22 H new ATOM 0 HE ARG A 66 0.008 1.926 -12.315 1.00 4.42 H new ATOM 0 HH11 ARG A 66 -3.012 2.305 -14.034 1.00 32.21 H new ATOM 0 HH12 ARG A 66 -2.833 0.769 -14.888 1.00 32.21 H new ATOM 0 HH21 ARG A 66 0.209 0.005 -13.426 1.00 10.15 H new ATOM 0 HH22 ARG A 66 -1.055 -0.500 -14.552 1.00 10.15 H new ATOM 1096 N VAL A 67 1.970 4.139 -7.444 1.00 10.12 N ATOM 1097 CA VAL A 67 3.323 4.342 -6.917 1.00 35.43 C ATOM 1098 C VAL A 67 4.241 3.160 -7.225 1.00 2.45 C ATOM 1099 O VAL A 67 3.917 2.005 -6.941 1.00 64.41 O ATOM 1100 CB VAL A 67 3.298 4.587 -5.385 1.00 13.13 C ATOM 1101 CG1 VAL A 67 4.710 4.810 -4.840 1.00 23.12 C ATOM 1102 CG2 VAL A 67 2.387 5.764 -5.037 1.00 52.22 C ATOM 0 H VAL A 67 1.321 3.717 -6.780 1.00 10.12 H new ATOM 0 HA VAL A 67 3.719 5.226 -7.417 1.00 35.43 H new ATOM 0 HB VAL A 67 2.894 3.694 -4.909 1.00 13.13 H new ATOM 0 HG11 VAL A 67 4.662 4.979 -3.764 1.00 23.12 H new ATOM 0 HG12 VAL A 67 5.321 3.930 -5.042 1.00 23.12 H new ATOM 0 HG13 VAL A 67 5.154 5.680 -5.325 1.00 23.12 H new ATOM 0 HG21 VAL A 67 2.386 5.916 -3.958 1.00 52.22 H new ATOM 0 HG22 VAL A 67 2.752 6.665 -5.530 1.00 52.22 H new ATOM 0 HG23 VAL A 67 1.373 5.551 -5.375 1.00 52.22 H new ATOM 1112 N TYR A 68 5.399 3.473 -7.792 1.00 24.33 N ATOM 1113 CA TYR A 68 6.391 2.469 -8.164 1.00 33.43 C ATOM 1114 C TYR A 68 7.015 1.839 -6.905 1.00 72.01 C ATOM 1115 O TYR A 68 7.946 2.392 -6.317 1.00 73.45 O ATOM 1116 CB TYR A 68 7.471 3.134 -9.028 1.00 21.14 C ATOM 1117 CG TYR A 68 8.271 2.173 -9.877 1.00 3.32 C ATOM 1118 CD1 TYR A 68 7.839 1.842 -11.153 1.00 44.44 C ATOM 1119 CD2 TYR A 68 9.454 1.614 -9.415 1.00 44.01 C ATOM 1120 CE1 TYR A 68 8.561 0.974 -11.950 1.00 21.42 C ATOM 1121 CE2 TYR A 68 10.188 0.745 -10.205 1.00 51.10 C ATOM 1122 CZ TYR A 68 9.737 0.429 -11.474 1.00 40.02 C ATOM 1123 OH TYR A 68 10.465 -0.434 -12.271 1.00 41.21 O ATOM 0 H TYR A 68 5.678 4.430 -8.008 1.00 24.33 H new ATOM 0 HA TYR A 68 5.911 1.673 -8.733 1.00 33.43 H new ATOM 0 HB2 TYR A 68 6.997 3.867 -9.680 1.00 21.14 H new ATOM 0 HB3 TYR A 68 8.154 3.680 -8.378 1.00 21.14 H new ATOM 0 HD1 TYR A 68 6.922 2.270 -11.530 1.00 44.44 H new ATOM 0 HD2 TYR A 68 9.808 1.860 -8.425 1.00 44.01 H new ATOM 0 HE1 TYR A 68 8.208 0.723 -12.939 1.00 21.42 H new ATOM 0 HE2 TYR A 68 11.107 0.317 -9.833 1.00 51.10 H new ATOM 0 HH TYR A 68 11.266 -0.728 -11.789 1.00 41.21 H new ATOM 1133 N HIS A 69 6.486 0.694 -6.487 1.00 42.11 N ATOM 1134 CA HIS A 69 6.895 0.070 -5.225 1.00 63.01 C ATOM 1135 C HIS A 69 8.007 -0.976 -5.415 1.00 43.02 C ATOM 1136 O HIS A 69 7.762 -2.084 -5.896 1.00 0.01 O ATOM 1137 CB HIS A 69 5.683 -0.570 -4.543 1.00 15.30 C ATOM 1138 CG HIS A 69 6.011 -1.237 -3.242 1.00 25.23 C ATOM 1139 ND1 HIS A 69 6.130 -2.600 -3.110 1.00 1.33 N ATOM 1140 CD2 HIS A 69 6.252 -0.723 -2.010 1.00 20.43 C ATOM 1141 CE1 HIS A 69 6.427 -2.897 -1.863 1.00 12.22 C ATOM 1142 NE2 HIS A 69 6.509 -1.779 -1.171 1.00 44.21 N ATOM 0 H HIS A 69 5.773 0.176 -7.001 1.00 42.11 H new ATOM 0 HA HIS A 69 7.303 0.859 -4.593 1.00 63.01 H new ATOM 0 HB2 HIS A 69 4.928 0.196 -4.369 1.00 15.30 H new ATOM 0 HB3 HIS A 69 5.242 -1.304 -5.217 1.00 15.30 H new ATOM 0 HD2 HIS A 69 6.243 0.323 -1.739 1.00 20.43 H new ATOM 0 HE1 HIS A 69 6.578 -3.892 -1.472 1.00 12.22 H new ATOM 0 HE2 HIS A 69 6.727 -1.709 -0.177 1.00 44.21 H new ATOM 1151 N SER A 70 9.225 -0.622 -5.009 1.00 22.33 N ATOM 1152 CA SER A 70 10.374 -1.542 -5.080 1.00 15.44 C ATOM 1153 C SER A 70 10.617 -2.241 -3.732 1.00 51.03 C ATOM 1154 O SER A 70 11.317 -1.707 -2.871 1.00 65.34 O ATOM 1155 CB SER A 70 11.646 -0.791 -5.510 1.00 73.02 C ATOM 1156 OG SER A 70 11.466 -0.153 -6.767 1.00 11.45 O ATOM 0 H SER A 70 9.449 0.296 -4.626 1.00 22.33 H new ATOM 0 HA SER A 70 10.137 -2.302 -5.825 1.00 15.44 H new ATOM 0 HB2 SER A 70 11.905 -0.048 -4.756 1.00 73.02 H new ATOM 0 HB3 SER A 70 12.481 -1.489 -5.570 1.00 73.02 H new ATOM 0 HG SER A 70 12.289 0.318 -7.016 1.00 11.45 H new ATOM 1162 N ASP A 71 10.012 -3.421 -3.557 1.00 64.45 N ATOM 1163 CA ASP A 71 10.179 -4.246 -2.339 1.00 63.41 C ATOM 1164 C ASP A 71 9.850 -3.469 -1.047 1.00 54.22 C ATOM 1165 O ASP A 71 8.761 -3.608 -0.488 1.00 0.22 O ATOM 1166 CB ASP A 71 11.597 -4.834 -2.273 1.00 31.20 C ATOM 1167 CG ASP A 71 11.919 -5.709 -3.470 1.00 23.11 C ATOM 1168 OD1 ASP A 71 10.991 -6.343 -4.021 1.00 35.12 O ATOM 1169 OD2 ASP A 71 13.096 -5.760 -3.879 1.00 2.22 O ATOM 0 H ASP A 71 9.391 -3.837 -4.251 1.00 64.45 H new ATOM 0 HA ASP A 71 9.460 -5.063 -2.408 1.00 63.41 H new ATOM 0 HB2 ASP A 71 12.321 -4.022 -2.215 1.00 31.20 H new ATOM 0 HB3 ASP A 71 11.702 -5.420 -1.360 1.00 31.20 H new ATOM 1174 N LYS A 72 10.796 -2.661 -0.575 1.00 33.32 N ATOM 1175 CA LYS A 72 10.563 -1.802 0.589 1.00 60.34 C ATOM 1176 C LYS A 72 9.519 -0.710 0.264 1.00 54.10 C ATOM 1177 O LYS A 72 8.392 -0.738 0.762 1.00 64.02 O ATOM 1178 CB LYS A 72 11.888 -1.162 1.063 1.00 22.23 C ATOM 1179 CG LYS A 72 12.671 -0.451 -0.047 1.00 61.42 C ATOM 1180 CD LYS A 72 13.832 0.387 0.482 1.00 15.12 C ATOM 1181 CE LYS A 72 14.995 -0.464 0.968 1.00 25.02 C ATOM 1182 NZ LYS A 72 16.165 0.378 1.334 1.00 35.53 N ATOM 0 H LYS A 72 11.730 -2.581 -0.978 1.00 33.32 H new ATOM 0 HA LYS A 72 10.169 -2.420 1.396 1.00 60.34 H new ATOM 0 HB2 LYS A 72 11.670 -0.446 1.855 1.00 22.23 H new ATOM 0 HB3 LYS A 72 12.518 -1.937 1.498 1.00 22.23 H new ATOM 0 HG2 LYS A 72 13.056 -1.194 -0.745 1.00 61.42 H new ATOM 0 HG3 LYS A 72 11.992 0.192 -0.608 1.00 61.42 H new ATOM 0 HD2 LYS A 72 14.180 1.056 -0.305 1.00 15.12 H new ATOM 0 HD3 LYS A 72 13.479 1.014 1.300 1.00 15.12 H new ATOM 0 HE2 LYS A 72 14.683 -1.051 1.831 1.00 25.02 H new ATOM 0 HE3 LYS A 72 15.282 -1.170 0.189 1.00 25.02 H new ATOM 0 HZ1 LYS A 72 16.942 -0.231 1.662 1.00 35.53 H new ATOM 0 HZ2 LYS A 72 16.477 0.920 0.503 1.00 35.53 H new ATOM 0 HZ3 LYS A 72 15.896 1.035 2.094 1.00 35.53 H new ATOM 1196 N LYS A 73 9.892 0.213 -0.619 1.00 33.44 N ATOM 1197 CA LYS A 73 9.070 1.372 -0.975 1.00 61.21 C ATOM 1198 C LYS A 73 9.460 1.862 -2.377 1.00 52.41 C ATOM 1199 O LYS A 73 8.667 1.794 -3.316 1.00 60.13 O ATOM 1200 CB LYS A 73 9.244 2.513 0.053 1.00 50.44 C ATOM 1201 CG LYS A 73 8.617 2.238 1.423 1.00 71.54 C ATOM 1202 CD LYS A 73 8.911 3.351 2.432 1.00 42.01 C ATOM 1203 CE LYS A 73 10.386 3.389 2.835 1.00 25.32 C ATOM 1204 NZ LYS A 73 10.670 4.465 3.827 1.00 24.41 N ATOM 0 H LYS A 73 10.783 0.179 -1.114 1.00 33.44 H new ATOM 0 HA LYS A 73 8.022 1.071 -0.969 1.00 61.21 H new ATOM 0 HB2 LYS A 73 10.309 2.704 0.187 1.00 50.44 H new ATOM 0 HB3 LYS A 73 8.806 3.423 -0.356 1.00 50.44 H new ATOM 0 HG2 LYS A 73 7.538 2.128 1.311 1.00 71.54 H new ATOM 0 HG3 LYS A 73 8.995 1.292 1.809 1.00 71.54 H new ATOM 0 HD2 LYS A 73 8.628 4.312 2.003 1.00 42.01 H new ATOM 0 HD3 LYS A 73 8.297 3.205 3.321 1.00 42.01 H new ATOM 0 HE2 LYS A 73 10.671 2.425 3.256 1.00 25.32 H new ATOM 0 HE3 LYS A 73 11.000 3.544 1.948 1.00 25.32 H new ATOM 0 HZ1 LYS A 73 11.561 4.256 4.321 1.00 24.41 H new ATOM 0 HZ2 LYS A 73 10.753 5.378 3.335 1.00 24.41 H new ATOM 0 HZ3 LYS A 73 9.894 4.514 4.518 1.00 24.41 H new ATOM 1218 N GLY A 74 10.704 2.329 -2.511 1.00 24.11 N ATOM 1219 CA GLY A 74 11.218 2.781 -3.803 1.00 12.35 C ATOM 1220 C GLY A 74 10.658 4.134 -4.229 1.00 75.01 C ATOM 1221 O GLY A 74 11.310 5.169 -4.050 1.00 31.41 O ATOM 0 H GLY A 74 11.371 2.403 -1.743 1.00 24.11 H new ATOM 0 HA2 GLY A 74 12.305 2.844 -3.753 1.00 12.35 H new ATOM 0 HA3 GLY A 74 10.976 2.039 -4.563 1.00 12.35 H new ATOM 1225 N VAL A 75 9.442 4.119 -4.782 1.00 1.32 N ATOM 1226 CA VAL A 75 8.749 5.339 -5.222 1.00 12.05 C ATOM 1227 C VAL A 75 9.559 6.096 -6.292 1.00 42.44 C ATOM 1228 O VAL A 75 9.697 7.324 -6.255 1.00 54.14 O ATOM 1229 CB VAL A 75 8.426 6.266 -4.015 1.00 55.13 C ATOM 1230 CG1 VAL A 75 7.492 7.411 -4.421 1.00 32.21 C ATOM 1231 CG2 VAL A 75 7.819 5.449 -2.877 1.00 52.24 C ATOM 0 H VAL A 75 8.909 3.264 -4.938 1.00 1.32 H new ATOM 0 HA VAL A 75 7.807 5.032 -5.676 1.00 12.05 H new ATOM 0 HB VAL A 75 9.358 6.714 -3.671 1.00 55.13 H new ATOM 0 HG11 VAL A 75 7.287 8.039 -3.554 1.00 32.21 H new ATOM 0 HG12 VAL A 75 7.967 8.010 -5.198 1.00 32.21 H new ATOM 0 HG13 VAL A 75 6.556 7.000 -4.800 1.00 32.21 H new ATOM 0 HG21 VAL A 75 7.596 6.106 -2.036 1.00 52.24 H new ATOM 0 HG22 VAL A 75 6.900 4.974 -3.220 1.00 52.24 H new ATOM 0 HG23 VAL A 75 8.527 4.683 -2.561 1.00 52.24 H new ATOM 1241 N SER A 76 10.103 5.349 -7.251 1.00 65.25 N ATOM 1242 CA SER A 76 10.804 5.942 -8.402 1.00 34.00 C ATOM 1243 C SER A 76 9.919 6.977 -9.109 1.00 43.24 C ATOM 1244 O SER A 76 10.366 8.069 -9.459 1.00 13.10 O ATOM 1245 CB SER A 76 11.216 4.848 -9.399 1.00 14.44 C ATOM 1246 OG SER A 76 11.808 5.398 -10.567 1.00 70.24 O ATOM 0 H SER A 76 10.075 4.329 -7.259 1.00 65.25 H new ATOM 0 HA SER A 76 11.697 6.443 -8.029 1.00 34.00 H new ATOM 0 HB2 SER A 76 11.919 4.166 -8.921 1.00 14.44 H new ATOM 0 HB3 SER A 76 10.341 4.260 -9.677 1.00 14.44 H new ATOM 0 HG SER A 76 12.059 4.674 -11.178 1.00 70.24 H new ATOM 1252 N ALA A 77 8.648 6.628 -9.285 1.00 3.01 N ATOM 1253 CA ALA A 77 7.676 7.521 -9.920 1.00 44.23 C ATOM 1254 C ALA A 77 6.251 7.222 -9.434 1.00 63.22 C ATOM 1255 O ALA A 77 5.972 6.133 -8.923 1.00 30.24 O ATOM 1256 CB ALA A 77 7.758 7.402 -11.440 1.00 72.13 C ATOM 0 H ALA A 77 8.263 5.729 -8.996 1.00 3.01 H new ATOM 0 HA ALA A 77 7.921 8.544 -9.635 1.00 44.23 H new ATOM 0 HB1 ALA A 77 7.030 8.072 -11.897 1.00 72.13 H new ATOM 0 HB2 ALA A 77 8.760 7.674 -11.773 1.00 72.13 H new ATOM 0 HB3 ALA A 77 7.543 6.375 -11.737 1.00 72.13 H new ATOM 1262 N TRP A 78 5.359 8.198 -9.588 1.00 0.21 N ATOM 1263 CA TRP A 78 3.944 8.034 -9.230 1.00 73.04 C ATOM 1264 C TRP A 78 3.025 8.710 -10.261 1.00 65.15 C ATOM 1265 O TRP A 78 3.348 9.774 -10.799 1.00 13.13 O ATOM 1266 CB TRP A 78 3.669 8.596 -7.821 1.00 50.31 C ATOM 1267 CG TRP A 78 4.165 10.002 -7.608 1.00 41.23 C ATOM 1268 CD1 TRP A 78 5.376 10.370 -7.096 1.00 4.02 C ATOM 1269 CD2 TRP A 78 3.461 11.224 -7.886 1.00 42.12 C ATOM 1270 NE1 TRP A 78 5.473 11.738 -7.045 1.00 22.31 N ATOM 1271 CE2 TRP A 78 4.312 12.286 -7.521 1.00 51.12 C ATOM 1272 CE3 TRP A 78 2.198 11.524 -8.407 1.00 2.05 C ATOM 1273 CZ2 TRP A 78 3.938 13.621 -7.664 1.00 54.53 C ATOM 1274 CZ3 TRP A 78 1.829 12.849 -8.547 1.00 72.34 C ATOM 1275 CH2 TRP A 78 2.696 13.883 -8.176 1.00 33.13 C ATOM 0 H TRP A 78 5.590 9.119 -9.961 1.00 0.21 H new ATOM 0 HA TRP A 78 3.726 6.966 -9.230 1.00 73.04 H new ATOM 0 HB2 TRP A 78 2.595 8.570 -7.635 1.00 50.31 H new ATOM 0 HB3 TRP A 78 4.136 7.943 -7.084 1.00 50.31 H new ATOM 0 HD1 TRP A 78 6.146 9.684 -6.777 1.00 4.02 H new ATOM 0 HE1 TRP A 78 6.280 12.262 -6.707 1.00 22.31 H new ATOM 0 HE3 TRP A 78 1.522 10.733 -8.695 1.00 2.05 H new ATOM 0 HZ2 TRP A 78 4.605 14.421 -7.380 1.00 54.53 H new ATOM 0 HZ3 TRP A 78 0.856 13.090 -8.949 1.00 72.34 H new ATOM 0 HH2 TRP A 78 2.379 14.908 -8.296 1.00 33.13 H new ATOM 1286 N GLU A 79 1.885 8.080 -10.542 1.00 31.44 N ATOM 1287 CA GLU A 79 0.896 8.640 -11.474 1.00 71.15 C ATOM 1288 C GLU A 79 -0.433 8.916 -10.759 1.00 4.45 C ATOM 1289 O GLU A 79 -0.910 8.094 -9.975 1.00 1.45 O ATOM 1290 CB GLU A 79 0.667 7.685 -12.650 1.00 33.34 C ATOM 1291 CG GLU A 79 1.952 7.273 -13.362 1.00 25.22 C ATOM 1292 CD GLU A 79 1.692 6.386 -14.565 1.00 62.42 C ATOM 1293 OE1 GLU A 79 1.493 5.170 -14.383 1.00 63.13 O ATOM 1294 OE2 GLU A 79 1.673 6.906 -15.703 1.00 14.42 O ATOM 0 H GLU A 79 1.620 7.181 -10.140 1.00 31.44 H new ATOM 0 HA GLU A 79 1.288 9.583 -11.854 1.00 71.15 H new ATOM 0 HB2 GLU A 79 0.160 6.791 -12.288 1.00 33.34 H new ATOM 0 HB3 GLU A 79 -0.000 8.161 -13.369 1.00 33.34 H new ATOM 0 HG2 GLU A 79 2.488 8.166 -13.683 1.00 25.22 H new ATOM 0 HG3 GLU A 79 2.600 6.747 -12.660 1.00 25.22 H new ATOM 1301 N GLU A 80 -1.031 10.063 -11.054 1.00 34.15 N ATOM 1302 CA GLU A 80 -2.236 10.522 -10.351 1.00 62.31 C ATOM 1303 C GLU A 80 -3.510 10.172 -11.142 1.00 23.11 C ATOM 1304 O GLU A 80 -3.915 10.901 -12.048 1.00 71.35 O ATOM 1305 CB GLU A 80 -2.131 12.039 -10.100 1.00 24.11 C ATOM 1306 CG GLU A 80 -3.149 12.593 -9.104 1.00 31.23 C ATOM 1307 CD GLU A 80 -2.921 14.071 -8.787 1.00 14.42 C ATOM 1308 OE1 GLU A 80 -2.922 14.894 -9.727 1.00 63.10 O ATOM 1309 OE2 GLU A 80 -2.730 14.418 -7.601 1.00 24.20 O ATOM 0 H GLU A 80 -0.703 10.701 -11.779 1.00 34.15 H new ATOM 0 HA GLU A 80 -2.307 10.008 -9.392 1.00 62.31 H new ATOM 0 HB2 GLU A 80 -1.128 12.265 -9.738 1.00 24.11 H new ATOM 0 HB3 GLU A 80 -2.252 12.560 -11.050 1.00 24.11 H new ATOM 0 HG2 GLU A 80 -4.153 12.463 -9.507 1.00 31.23 H new ATOM 0 HG3 GLU A 80 -3.099 12.016 -8.181 1.00 31.23 H new ATOM 1316 N VAL A 81 -4.124 9.034 -10.802 1.00 24.13 N ATOM 1317 CA VAL A 81 -5.313 8.539 -11.512 1.00 64.13 C ATOM 1318 C VAL A 81 -6.582 8.629 -10.641 1.00 21.55 C ATOM 1319 O VAL A 81 -6.536 9.068 -9.489 1.00 15.23 O ATOM 1320 CB VAL A 81 -5.115 7.074 -11.993 1.00 13.04 C ATOM 1321 CG1 VAL A 81 -3.896 6.961 -12.909 1.00 5.22 C ATOM 1322 CG2 VAL A 81 -4.992 6.114 -10.809 1.00 62.30 C ATOM 0 H VAL A 81 -3.817 8.434 -10.036 1.00 24.13 H new ATOM 0 HA VAL A 81 -5.446 9.183 -12.381 1.00 64.13 H new ATOM 0 HB VAL A 81 -5.999 6.790 -12.564 1.00 13.04 H new ATOM 0 HG11 VAL A 81 -3.778 5.927 -13.232 1.00 5.22 H new ATOM 0 HG12 VAL A 81 -4.036 7.600 -13.781 1.00 5.22 H new ATOM 0 HG13 VAL A 81 -3.004 7.276 -12.368 1.00 5.22 H new ATOM 0 HG21 VAL A 81 -4.854 5.097 -11.178 1.00 62.30 H new ATOM 0 HG22 VAL A 81 -4.135 6.398 -10.198 1.00 62.30 H new ATOM 0 HG23 VAL A 81 -5.899 6.162 -10.206 1.00 62.30 H new ATOM 1332 N LYS A 82 -7.716 8.200 -11.194 1.00 32.24 N ATOM 1333 CA LYS A 82 -9.010 8.318 -10.503 1.00 4.52 C ATOM 1334 C LYS A 82 -9.533 6.956 -10.010 1.00 12.32 C ATOM 1335 O LYS A 82 -9.050 5.901 -10.414 1.00 62.12 O ATOM 1336 CB LYS A 82 -10.037 8.967 -11.442 1.00 64.04 C ATOM 1337 CG LYS A 82 -10.345 8.138 -12.686 1.00 32.23 C ATOM 1338 CD LYS A 82 -11.181 8.913 -13.699 1.00 70.11 C ATOM 1339 CE LYS A 82 -10.438 10.136 -14.221 1.00 72.41 C ATOM 1340 NZ LYS A 82 -11.207 10.851 -15.270 1.00 41.33 N ATOM 0 H LYS A 82 -7.770 7.768 -12.116 1.00 32.24 H new ATOM 0 HA LYS A 82 -8.861 8.944 -9.624 1.00 4.52 H new ATOM 0 HB2 LYS A 82 -10.962 9.136 -10.892 1.00 64.04 H new ATOM 0 HB3 LYS A 82 -9.666 9.944 -11.751 1.00 64.04 H new ATOM 0 HG2 LYS A 82 -9.411 7.824 -13.152 1.00 32.23 H new ATOM 0 HG3 LYS A 82 -10.877 7.232 -12.395 1.00 32.23 H new ATOM 0 HD2 LYS A 82 -11.440 8.261 -14.533 1.00 70.11 H new ATOM 0 HD3 LYS A 82 -12.117 9.225 -13.236 1.00 70.11 H new ATOM 0 HE2 LYS A 82 -10.235 10.816 -13.394 1.00 72.41 H new ATOM 0 HE3 LYS A 82 -9.474 9.829 -14.625 1.00 72.41 H new ATOM 0 HZ1 LYS A 82 -10.664 11.676 -15.597 1.00 41.33 H new ATOM 0 HZ2 LYS A 82 -11.379 10.211 -16.071 1.00 41.33 H new ATOM 0 HZ3 LYS A 82 -12.117 11.168 -14.878 1.00 41.33 H new ATOM 1354 N LYS A 83 -10.544 7.002 -9.145 1.00 73.02 N ATOM 1355 CA LYS A 83 -11.160 5.796 -8.577 1.00 21.01 C ATOM 1356 C LYS A 83 -12.137 5.142 -9.573 1.00 41.23 C ATOM 1357 O LYS A 83 -12.349 3.932 -9.544 1.00 0.21 O ATOM 1358 CB LYS A 83 -11.873 6.173 -7.259 1.00 72.02 C ATOM 1359 CG LYS A 83 -12.638 5.029 -6.581 1.00 75.25 C ATOM 1360 CD LYS A 83 -14.151 5.133 -6.790 1.00 2.14 C ATOM 1361 CE LYS A 83 -14.737 6.403 -6.172 1.00 63.04 C ATOM 1362 NZ LYS A 83 -14.497 6.475 -4.705 1.00 72.40 N ATOM 0 H LYS A 83 -10.961 7.873 -8.816 1.00 73.02 H new ATOM 0 HA LYS A 83 -10.383 5.060 -8.370 1.00 21.01 H new ATOM 0 HB2 LYS A 83 -11.130 6.557 -6.560 1.00 72.02 H new ATOM 0 HB3 LYS A 83 -12.571 6.986 -7.461 1.00 72.02 H new ATOM 0 HG2 LYS A 83 -12.284 4.076 -6.975 1.00 75.25 H new ATOM 0 HG3 LYS A 83 -12.421 5.033 -5.513 1.00 75.25 H new ATOM 0 HD2 LYS A 83 -14.370 5.117 -7.858 1.00 2.14 H new ATOM 0 HD3 LYS A 83 -14.637 4.261 -6.352 1.00 2.14 H new ATOM 0 HE2 LYS A 83 -14.297 7.276 -6.654 1.00 63.04 H new ATOM 0 HE3 LYS A 83 -15.809 6.438 -6.366 1.00 63.04 H new ATOM 0 HZ1 LYS A 83 -15.388 6.702 -4.218 1.00 72.40 H new ATOM 0 HZ2 LYS A 83 -14.141 5.558 -4.366 1.00 72.40 H new ATOM 0 HZ3 LYS A 83 -13.794 7.215 -4.504 1.00 72.40 H new ATOM 1376 N ASP A 84 -12.718 5.950 -10.457 1.00 41.33 N ATOM 1377 CA ASP A 84 -13.663 5.457 -11.468 1.00 10.04 C ATOM 1378 C ASP A 84 -13.027 4.394 -12.393 1.00 12.32 C ATOM 1379 O ASP A 84 -13.665 3.399 -12.748 1.00 63.32 O ATOM 1380 CB ASP A 84 -14.175 6.639 -12.302 1.00 53.02 C ATOM 1381 CG ASP A 84 -15.279 6.247 -13.274 1.00 3.42 C ATOM 1382 OD1 ASP A 84 -14.969 5.661 -14.336 1.00 23.33 O ATOM 1383 OD2 ASP A 84 -16.462 6.533 -12.987 1.00 20.54 O ATOM 0 H ASP A 84 -12.552 6.956 -10.497 1.00 41.33 H new ATOM 0 HA ASP A 84 -14.491 4.977 -10.947 1.00 10.04 H new ATOM 0 HB2 ASP A 84 -14.546 7.415 -11.633 1.00 53.02 H new ATOM 0 HB3 ASP A 84 -13.344 7.070 -12.860 1.00 53.02 H new ATOM 1388 N GLU A 85 -11.760 4.603 -12.759 1.00 31.43 N ATOM 1389 CA GLU A 85 -11.077 3.747 -13.745 1.00 33.43 C ATOM 1390 C GLU A 85 -10.522 2.448 -13.130 1.00 44.14 C ATOM 1391 O GLU A 85 -9.860 1.664 -13.821 1.00 11.11 O ATOM 1392 CB GLU A 85 -9.932 4.522 -14.412 1.00 63.13 C ATOM 1393 CG GLU A 85 -8.831 4.958 -13.447 1.00 65.01 C ATOM 1394 CD GLU A 85 -7.650 5.599 -14.156 1.00 25.21 C ATOM 1395 OE1 GLU A 85 -7.656 6.837 -14.341 1.00 44.15 O ATOM 1396 OE2 GLU A 85 -6.715 4.865 -14.542 1.00 32.45 O ATOM 0 H GLU A 85 -11.182 5.358 -12.389 1.00 31.43 H new ATOM 0 HA GLU A 85 -11.826 3.464 -14.484 1.00 33.43 H new ATOM 0 HB2 GLU A 85 -9.492 3.900 -15.192 1.00 63.13 H new ATOM 0 HB3 GLU A 85 -10.342 5.405 -14.902 1.00 63.13 H new ATOM 0 HG2 GLU A 85 -9.244 5.664 -12.726 1.00 65.01 H new ATOM 0 HG3 GLU A 85 -8.484 4.092 -12.883 1.00 65.01 H new ATOM 1403 N LEU A 86 -10.781 2.225 -11.844 1.00 35.41 N ATOM 1404 CA LEU A 86 -10.321 1.006 -11.169 1.00 44.11 C ATOM 1405 C LEU A 86 -11.014 -0.249 -11.737 1.00 65.01 C ATOM 1406 O LEU A 86 -12.197 -0.210 -12.083 1.00 2.01 O ATOM 1407 CB LEU A 86 -10.553 1.115 -9.652 1.00 74.54 C ATOM 1408 CG LEU A 86 -9.691 2.163 -8.925 1.00 61.23 C ATOM 1409 CD1 LEU A 86 -9.998 2.170 -7.431 1.00 34.12 C ATOM 1410 CD2 LEU A 86 -8.201 1.909 -9.170 1.00 74.21 C ATOM 0 H LEU A 86 -11.304 2.866 -11.248 1.00 35.41 H new ATOM 0 HA LEU A 86 -9.252 0.903 -11.354 1.00 44.11 H new ATOM 0 HB2 LEU A 86 -11.603 1.350 -9.478 1.00 74.54 H new ATOM 0 HB3 LEU A 86 -10.366 0.140 -9.202 1.00 74.54 H new ATOM 0 HG LEU A 86 -9.938 3.144 -9.330 1.00 61.23 H new ATOM 0 HD11 LEU A 86 -9.378 2.917 -6.936 1.00 34.12 H new ATOM 0 HD12 LEU A 86 -11.050 2.411 -7.277 1.00 34.12 H new ATOM 0 HD13 LEU A 86 -9.786 1.187 -7.011 1.00 34.12 H new ATOM 0 HD21 LEU A 86 -7.613 2.662 -8.646 1.00 74.21 H new ATOM 0 HD22 LEU A 86 -7.935 0.919 -8.800 1.00 74.21 H new ATOM 0 HD23 LEU A 86 -7.993 1.965 -10.239 1.00 74.21 H new ATOM 1422 N PRO A 87 -10.279 -1.381 -11.847 1.00 61.52 N ATOM 1423 CA PRO A 87 -10.806 -2.629 -12.441 1.00 44.03 C ATOM 1424 C PRO A 87 -12.105 -3.120 -11.773 1.00 62.14 C ATOM 1425 O PRO A 87 -12.216 -3.146 -10.549 1.00 63.42 O ATOM 1426 CB PRO A 87 -9.665 -3.645 -12.235 1.00 71.21 C ATOM 1427 CG PRO A 87 -8.767 -3.028 -11.210 1.00 50.10 C ATOM 1428 CD PRO A 87 -8.883 -1.540 -11.406 1.00 0.22 C ATOM 0 HA PRO A 87 -11.079 -2.484 -13.486 1.00 44.03 H new ATOM 0 HB2 PRO A 87 -10.051 -4.605 -11.893 1.00 71.21 H new ATOM 0 HB3 PRO A 87 -9.130 -3.830 -13.167 1.00 71.21 H new ATOM 0 HG2 PRO A 87 -9.069 -3.314 -10.203 1.00 50.10 H new ATOM 0 HG3 PRO A 87 -7.737 -3.361 -11.341 1.00 50.10 H new ATOM 0 HD2 PRO A 87 -8.685 -0.993 -10.484 1.00 0.22 H new ATOM 0 HD3 PRO A 87 -8.178 -1.173 -12.152 1.00 0.22 H new ATOM 1436 N ALA A 88 -13.073 -3.528 -12.593 1.00 34.22 N ATOM 1437 CA ALA A 88 -14.397 -3.955 -12.107 1.00 61.53 C ATOM 1438 C ALA A 88 -14.317 -4.976 -10.958 1.00 40.52 C ATOM 1439 O ALA A 88 -15.122 -4.944 -10.030 1.00 23.30 O ATOM 1440 CB ALA A 88 -15.210 -4.534 -13.260 1.00 15.31 C ATOM 0 H ALA A 88 -12.969 -3.574 -13.607 1.00 34.22 H new ATOM 0 HA ALA A 88 -14.888 -3.068 -11.707 1.00 61.53 H new ATOM 0 HB1 ALA A 88 -16.188 -4.848 -12.894 1.00 15.31 H new ATOM 0 HB2 ALA A 88 -15.338 -3.775 -14.032 1.00 15.31 H new ATOM 0 HB3 ALA A 88 -14.686 -5.393 -13.679 1.00 15.31 H new ATOM 1446 N LYS A 89 -13.338 -5.870 -11.016 1.00 13.13 N ATOM 1447 CA LYS A 89 -13.210 -6.939 -10.018 1.00 75.12 C ATOM 1448 C LYS A 89 -12.806 -6.422 -8.627 1.00 65.33 C ATOM 1449 O LYS A 89 -13.069 -7.087 -7.624 1.00 61.43 O ATOM 1450 CB LYS A 89 -12.223 -8.009 -10.510 1.00 50.43 C ATOM 1451 CG LYS A 89 -12.696 -8.716 -11.778 1.00 20.01 C ATOM 1452 CD LYS A 89 -14.087 -9.323 -11.589 1.00 24.13 C ATOM 1453 CE LYS A 89 -14.698 -9.775 -12.906 1.00 40.25 C ATOM 1454 NZ LYS A 89 -16.124 -10.161 -12.742 1.00 53.34 N ATOM 0 H LYS A 89 -12.619 -5.881 -11.740 1.00 13.13 H new ATOM 0 HA LYS A 89 -14.198 -7.384 -9.902 1.00 75.12 H new ATOM 0 HB2 LYS A 89 -11.255 -7.544 -10.699 1.00 50.43 H new ATOM 0 HB3 LYS A 89 -12.073 -8.748 -9.723 1.00 50.43 H new ATOM 0 HG2 LYS A 89 -12.715 -8.008 -12.606 1.00 20.01 H new ATOM 0 HG3 LYS A 89 -11.988 -9.500 -12.046 1.00 20.01 H new ATOM 0 HD2 LYS A 89 -14.022 -10.173 -10.910 1.00 24.13 H new ATOM 0 HD3 LYS A 89 -14.742 -8.589 -11.119 1.00 24.13 H new ATOM 0 HE2 LYS A 89 -14.620 -8.972 -13.639 1.00 40.25 H new ATOM 0 HE3 LYS A 89 -14.134 -10.621 -13.298 1.00 40.25 H new ATOM 0 HZ1 LYS A 89 -16.509 -10.464 -13.659 1.00 53.34 H new ATOM 0 HZ2 LYS A 89 -16.196 -10.944 -12.061 1.00 53.34 H new ATOM 0 HZ3 LYS A 89 -16.666 -9.346 -12.391 1.00 53.34 H new ATOM 1468 N VAL A 90 -12.195 -5.239 -8.549 1.00 43.11 N ATOM 1469 CA VAL A 90 -11.792 -4.688 -7.246 1.00 61.11 C ATOM 1470 C VAL A 90 -13.016 -4.184 -6.459 1.00 34.30 C ATOM 1471 O VAL A 90 -13.077 -4.321 -5.236 1.00 54.12 O ATOM 1472 CB VAL A 90 -10.735 -3.553 -7.377 1.00 22.52 C ATOM 1473 CG1 VAL A 90 -11.363 -2.240 -7.849 1.00 62.54 C ATOM 1474 CG2 VAL A 90 -9.988 -3.354 -6.057 1.00 64.21 C ATOM 0 H VAL A 90 -11.970 -4.651 -9.352 1.00 43.11 H new ATOM 0 HA VAL A 90 -11.325 -5.505 -6.696 1.00 61.11 H new ATOM 0 HB VAL A 90 -10.018 -3.862 -8.138 1.00 22.52 H new ATOM 0 HG11 VAL A 90 -10.591 -1.475 -7.927 1.00 62.54 H new ATOM 0 HG12 VAL A 90 -11.827 -2.388 -8.824 1.00 62.54 H new ATOM 0 HG13 VAL A 90 -12.120 -1.920 -7.132 1.00 62.54 H new ATOM 0 HG21 VAL A 90 -9.254 -2.556 -6.171 1.00 64.21 H new ATOM 0 HG22 VAL A 90 -10.697 -3.085 -5.274 1.00 64.21 H new ATOM 0 HG23 VAL A 90 -9.479 -4.279 -5.784 1.00 64.21 H new ATOM 1484 N LYS A 91 -14.005 -3.627 -7.170 1.00 4.12 N ATOM 1485 CA LYS A 91 -15.241 -3.144 -6.534 1.00 43.34 C ATOM 1486 C LYS A 91 -16.177 -4.316 -6.191 1.00 51.25 C ATOM 1487 O LYS A 91 -16.972 -4.235 -5.257 1.00 64.10 O ATOM 1488 CB LYS A 91 -15.970 -2.138 -7.443 1.00 43.55 C ATOM 1489 CG LYS A 91 -16.590 -2.767 -8.687 1.00 54.33 C ATOM 1490 CD LYS A 91 -17.387 -1.764 -9.517 1.00 61.35 C ATOM 1491 CE LYS A 91 -16.495 -0.706 -10.164 1.00 54.12 C ATOM 1492 NZ LYS A 91 -17.273 0.211 -11.037 1.00 25.50 N ATOM 0 H LYS A 91 -13.975 -3.499 -8.182 1.00 4.12 H new ATOM 0 HA LYS A 91 -14.961 -2.639 -5.609 1.00 43.34 H new ATOM 0 HB2 LYS A 91 -16.754 -1.645 -6.868 1.00 43.55 H new ATOM 0 HB3 LYS A 91 -15.266 -1.365 -7.751 1.00 43.55 H new ATOM 0 HG2 LYS A 91 -15.801 -3.198 -9.304 1.00 54.33 H new ATOM 0 HG3 LYS A 91 -17.244 -3.586 -8.388 1.00 54.33 H new ATOM 0 HD2 LYS A 91 -17.938 -2.295 -10.293 1.00 61.35 H new ATOM 0 HD3 LYS A 91 -18.124 -1.274 -8.881 1.00 61.35 H new ATOM 0 HE2 LYS A 91 -15.992 -0.130 -9.387 1.00 54.12 H new ATOM 0 HE3 LYS A 91 -15.718 -1.195 -10.751 1.00 54.12 H new ATOM 0 HZ1 LYS A 91 -16.634 0.915 -11.458 1.00 25.50 H new ATOM 0 HZ2 LYS A 91 -17.732 -0.336 -11.793 1.00 25.50 H new ATOM 0 HZ3 LYS A 91 -17.998 0.697 -10.472 1.00 25.50 H new